CID int64 1 178M | SMILES stringlengths 2 3.53k | SMILES_Canonical stringlengths 2 3.53k ⌀ | SELFIES stringlengths 4 9.29k ⌀ | inchi stringlengths 11 3.82k ⌀ | iupac stringlengths 3 5.94k ⌀ | formula stringlengths 1 63 |
|---|---|---|---|---|---|---|
102,186,925 | C1=CC(=CC=C1O)OCC(CBr)Br | Oc1ccc(OCC(Br)CBr)cc1 | [O][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][Br][C][Br][C][=C][Ring1][N] | InChI=1S/C9H10Br2O2/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h1-4,7,12H,5-6H2 | 4-(2,3-dibromopropoxy)phenol | C9H10Br2O2 |
88,875,835 | C[C@H]1CN(CCN1C(=O)NC2=NC3=C(S2)C=CC(=C3)F)C4=C(C=C(C=N4)C[C@H](CO)O)F | C[C@H]1CN(c2ncc(C[C@@H](O)CO)cc2F)CCN1C(=O)Nc1nc2cc(F)ccc2s1 | [C][C@H1][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Branch2][C][C@@H1][Branch1][C][O][C][O][C][=C][Ring1][O][F][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | InChI=1S/C21H23F2N5O3S/c1-12-10-27(19-16(23)7-13(9-24-19)6-15(30)11-29)4-5-28(12)21(31)26-20-25-17-8-14(22)2-3-18(17)32-20/h2-3,7-9,12,15,29-30H,4-6,10-11H2,1H3,(H,25,26,31)/t12-,15+/m0/s1 | (2S)-4-[5-[(2R)-2,3-dihydroxypropyl]-3-fluoro-2-pyridinyl]-N-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide | C21H23F2N5O3S |
144,327,125 | CC.CC.CCC1=CC=C(CC1)CN2CCC3C2CCNC3 | CC.CC.CCC1=CC=C(CN2CCC3CNCCC32)CC1 | [C][C].[C][C].[C][C][C][=C][C][=C][Branch1][#C][C][N][C][C][C][C][N][C][C][C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][S] | InChI=1S/C16H26N2.2C2H6/c1-2-13-3-5-14(6-4-13)12-18-10-8-15-11-17-9-7-16(15)18;2*1-2/h3,5,15-17H,2,4,6-12H2,1H3;2*1-2H3 | ethane;1-[(4-ethylcyclohexa-1,3-dien-1-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine | C20H38N2 |
68,527,348 | C1COC(CN1)COC2=NN(C3=C2C=C(C=C3)F)C4=C(C=C(C=C4)F)F.C(=CC(=O)O)C(=O)O | Fc1ccc(-n2nc(OCC3CNCCO3)c3cc(F)ccc32)c(F)c1.O=C(O)C=CC(=O)O | [F][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][Branch1][O][O][C][C][C][N][C][C][O][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2].[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][O] | InChI=1S/C18H16F3N3O2.C4H4O4/c19-11-1-3-16-14(7-11)18(26-10-13-9-22-5-6-25-13)23-24(16)17-4-2-12(20)8-15(17)21;5-3(6)1-2-4(7)8/h1-4,7-8,13,22H,5-6,9-10H2;1-2H,(H,5,6)(H,7,8) | but-2-enedioic acid;2-[[1-(2,4-difluorophenyl)-5-fluoroindazol-3-yl]oxymethyl]morpholine | C22H20F3N3O6 |
1,397,607 | CC1=C(C=C(C=C1)NC(=S)N2[C@@H]3CCCC[C@@H]3N=C2NC4=NC(=CC(=N4)C)C)C | Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@H]3N2C(=S)Nc2ccc(C)c(C)c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring2][C][N][C][=N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][N] | InChI=1S/C22H28N6S/c1-13-9-10-17(11-14(13)2)25-22(29)28-19-8-6-5-7-18(19)26-21(28)27-20-23-15(3)12-16(4)24-20/h9-12,18-19H,5-8H2,1-4H3,(H,25,29)(H,23,24,26,27)/t18-,19+/m0/s1 | (3aS,7aR)-N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carbothioamide | C22H28N6S |
56,379,694 | C1=CC(=CC=C1CC(CNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)N)F | NC(=O)C(CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cc1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][P][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | InChI=1S/C23H19ClFN3O5/c24-17-5-10-21(20(12-17)28(31)32)33-19-8-3-15(4-9-19)23(30)27-13-16(22(26)29)11-14-1-6-18(25)7-2-14/h1-10,12,16H,11,13H2,(H2,26,29)(H,27,30) | N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-(4-chloro-2-nitrophenoxy)benzamide | C23H19ClFN3O5 |
33,914,826 | CN1C=NN(C1=S)CN2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4 | Cn1cnn(CN2CCN(Cc3ccc(-c4ccccc4)s3)CC2)c1=S | [C][N][C][=N][N][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch2][=S] | InChI=1S/C19H23N5S2/c1-21-14-20-24(19(21)25)15-23-11-9-22(10-12-23)13-17-7-8-18(26-17)16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3 | 4-methyl-2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione | C19H23N5S2 |
165,939,821 | CC(C)C1=C(C=CC(=C1)Br)NC(=O)OCC2=CC=CC=C2 | CC(C)c1cc(Br)ccc1NC(=O)OCc1ccccc1 | [C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | InChI=1S/C17H18BrNO2/c1-12(2)15-10-14(18)8-9-16(15)19-17(20)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,20) | benzyl N-(4-bromo-2-propan-2-ylphenyl)carbamate | C17H18BrNO2 |
79,719,077 | CC1=CC=C(O1)C(C)NC2=NC=C(C=C2C)Br | Cc1ccc(C(C)Nc2ncc(Br)cc2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][O][Ring1][S] | InChI=1S/C13H15BrN2O/c1-8-6-11(14)7-15-13(8)16-10(3)12-5-4-9(2)17-12/h4-7,10H,1-3H3,(H,15,16) | 5-bromo-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine | C13H15BrN2O |
101,205,557 | C1=CC2=C(C=CN2)C=C1NNC3=NC=NC=C3I | Ic1cncnc1NNc1ccc2[nH]ccc2c1 | [I][C][=C][N][=C][N][=C][Ring1][=Branch1][N][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | InChI=1S/C12H10IN5/c13-10-6-14-7-16-12(10)18-17-9-1-2-11-8(5-9)3-4-15-11/h1-7,15,17H,(H,14,16,18) | 1-(1H-indol-5-yl)-2-(5-iodopyrimidin-4-yl)hydrazine | C12H10IN5 |
122,217,365 | C(COC(=O)CC(CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | O=C(CC(CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F | [O][=C][Branch2][#Branch1][#Branch2][C][C][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][Branch2][Ring2][Branch1][C][=Branch1][C][=O][O][C][C][C][Branch1][C][F][Branch1][C][... | InChI=1S/C24H17F27O9S/c25-13(26,16(31,32)19(37,38)22(43,44)45)1-4-58-9(52)7-12(61(55,56)57,11(54)60-6-3-15(29,30)18(35,36)21(41,42)24(49,50)51)8-10(53)59-5-2-14(27,28)17(33,34)20(39,40)23(46,47)48/h1-8H2,(H,55,56,57) | 1,5-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxycarbonyl)-1,5-dioxopentane-3-sulfonic acid | C24H17F27O9S |
123,435,925 | CC1C(CO1)CCC(C)NC(CCCN)C(=O)C(C)(C)NC(C)CC(C)(C)C | CC(CCC1COC1C)NC(CCCN)C(=O)C(C)(C)NC(C)CC(C)(C)C | [C][C][Branch1][#Branch2][C][C][C][C][O][C][Ring1][Ring2][C][N][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C] | InChI=1S/C23H47N3O2/c1-16(11-12-19-15-28-18(19)3)25-20(10-9-13-24)21(27)23(7,8)26-17(2)14-22(4,5)6/h16-20,25-26H,9-15,24H2,1-8H3 | 7-amino-2-(4,4-dimethylpentan-2-ylamino)-2-methyl-4-[4-(2-methyloxetan-3-yl)butan-2-ylamino]heptan-3-one | C23H47N3O2 |
13,459,965 | CC1=NCC(C1)COC | COCC1CN=C(C)C1 | [C][O][C][C][C][N][=C][Branch1][C][C][C][Ring1][=Branch1] | InChI=1S/C7H13NO/c1-6-3-7(4-8-6)5-9-2/h7H,3-5H2,1-2H3 | 3-(methoxymethyl)-5-methyl-3,4-dihydro-2H-pyrrole | C7H13NO |
80,244,632 | CC1=CC=C(S1)CNCC2(CCCC2)CC(C)C | Cc1ccc(CNCC2(CC(C)C)CCCC2)s1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][C][Ring1][=Branch2][S][Ring1][P] | InChI=1S/C16H27NS/c1-13(2)10-16(8-4-5-9-16)12-17-11-15-7-6-14(3)18-15/h6-7,13,17H,4-5,8-12H2,1-3H3 | N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-(5-methylthiophen-2-yl)methanamine | C16H27NS |
13,138,514 | C1CN(CCN1C=O)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)Cl | N#Cc1c(-c2ccccc2)cc(N2CCN(C=O)CC2)nc1Cl | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][Branch2][N][=C][Ring2][Ring1][Ring2][Cl] | InChI=1S/C17H15ClN4O/c18-17-15(11-19)14(13-4-2-1-3-5-13)10-16(20-17)22-8-6-21(12-23)7-9-22/h1-5,10,12H,6-9H2 | 2-chloro-6-(4-formylpiperazin-1-yl)-4-phenylpyridine-3-carbonitrile | C17H15ClN4O |
43,878,116 | CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)Br | CCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1Br | [C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P][C][=C][Ring2][Ring1][=N][Br] | InChI=1S/C27H26BrClFN3O3S/c1-2-3-4-5-13-36-24-12-9-18(15-21(24)28)26(35)33-27(37)32-19-8-6-7-17(14-19)25(34)31-20-10-11-23(30)22(29)16-20/h6-12,14-16H,2-5,13H2,1H3,(H,31,34)(H2,32,33,35,37) | 3-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-4-hexoxybenzamide | C27H26BrClFN3O3S |
6,567,397 | CC1=C(C=C(C=C1)OCC(=O)OC2=CC=C(C=C2)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)C | Cc1ccc(OCC(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@@H1][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N][C] | InChI=1S/C25H25NO5/c1-14-3-8-20(11-15(14)2)30-13-21(27)31-19-9-6-18(7-10-19)26-24(28)22-16-4-5-17(12-16)23(22)25(26)29/h3,6-11,16-17,22-23H,4-5,12-13H2,1-2H3/t16-,17-,22-,23-/m0/s1 | [4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] 2-(3,4-dimethylphenoxy)acetate | C25H25NO5 |
116,248,662 | CCNC(C)(CC(=O)OC)COCC | CCNC(C)(COCC)CC(=O)OC | [C][C][N][C][Branch1][C][C][Branch1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O][C] | InChI=1S/C10H21NO3/c1-5-11-10(3,8-14-6-2)7-9(12)13-4/h11H,5-8H2,1-4H3 | methyl 4-ethoxy-3-(ethylamino)-3-methylbutanoate | C10H21NO3 |
12,737,425 | CCOC(=O)C(C)C1CC(=O)N1 | CCOC(=O)C(C)C1CC(=O)N1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][Branch1] | InChI=1S/C8H13NO3/c1-3-12-8(11)5(2)6-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10) | ethyl 2-(4-oxoazetidin-2-yl)propanoate | C8H13NO3 |
119,715,491 | C1CC2CC(CC1N2)CC(=O)NC3=CC=C(C=C3)CN4C=CC=N4 | O=C(CC1CC2CCC(C1)N2)Nc1ccc(Cn2cccn2)cc1 | [O][=C][Branch1][S][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N] | InChI=1S/C19H24N4O/c24-19(12-15-10-17-6-7-18(11-15)21-17)22-16-4-2-14(3-5-16)13-23-9-1-8-20-23/h1-5,8-9,15,17-18,21H,6-7,10-13H2,(H,22,24) | 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide | C19H24N4O |
176,880,120 | CC(C)(C)C1=NC(=NC=C1)C2=CC=NC=C2 | CC(C)(C)c1ccnc(-c2ccncc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N] | InChI=1S/C13H15N3/c1-13(2,3)11-6-9-15-12(16-11)10-4-7-14-8-5-10/h4-9H,1-3H3 | 4-tert-butyl-2-pyridin-4-ylpyrimidine | C13H15N3 |
86,264,706 | COC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCC4=CN=C(N=C4C3)N5CCOCC5 | COc1ccc2cc(C(=O)N3CCc4cnc(N5CCOCC5)nc4C3)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][Ring1][S][NH1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] | InChI=1S/C21H23N5O3/c1-28-16-3-2-14-10-18(23-17(14)11-16)20(27)26-5-4-15-12-22-21(24-19(15)13-26)25-6-8-29-9-7-25/h2-3,10-12,23H,4-9,13H2,1H3 | (6-methoxy-1H-indol-2-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone | C21H23N5O3 |
156,644,367 | CC/C=C\C(=NC)NC(=O)CSC1=NC(=NS1)C2=CC=C(C=C2)OC | CC/C=C\C(=NC)NC(=O)CSc1nc(-c2ccc(OC)cc2)ns1 | [C][C][/C][=C][\C][=Branch1][Ring1][=N][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][S][Ring1][=N] | InChI=1S/C17H20N4O2S2/c1-4-5-6-14(18-2)19-15(22)11-24-17-20-16(21-25-17)12-7-9-13(23-3)10-8-12/h5-10H,4,11H2,1-3H3,(H,18,19,22)/b6-5- | N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide | C17H20N4O2S2 |
851,744 | C1=CC(=CC=C1C2=NC(=O)NO2)Cl | O=c1nc(-c2ccc(Cl)cc2)o[nH]1 | [O][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][NH1][Ring1][N] | InChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-8(12)11-13-7/h1-4H,(H,11,12) | 5-(4-chlorophenyl)-1,2,4-oxadiazol-3-one | C8H5ClN2O2 |
65,619,682 | CC(C)N1C(=NC=N1)CN(C)CCO | CC(C)n1ncnc1CN(C)CCO | [C][C][Branch1][C][C][N][N][=C][N][=C][Ring1][Branch1][C][N][Branch1][C][C][C][C][O] | InChI=1S/C9H18N4O/c1-8(2)13-9(10-7-11-13)6-12(3)4-5-14/h7-8,14H,4-6H2,1-3H3 | 2-[methyl-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]ethanol | C9H18N4O |
168,202,140 | CC.CCC1=C2C(=CC(=C1)F)C(=O)N(C(=N2)N3CCC(CC3)(C)C)C.CC1=CC(=C(C=C1)N)C(=C)O | C=C(O)c1cc(C)ccc1N.CC.CCc1cc(F)cc2c(=O)n(C)c(N3CCC(C)(C)CC3)nc12 | [C][=C][Branch1][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N].[C][C].[C][C][C][=C][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=N][C][Ring2][Ring1][Branch1][=Ring1][S] | InChI=1S/C18H24FN3O.C9H11NO.C2H6/c1-5-12-10-13(19)11-14-15(12)20-17(21(4)16(14)23)22-8-6-18(2,3)7-9-22;1-6-3-4-9(10)8(5-6)7(2)11;1-2/h10-11H,5-9H2,1-4H3;3-5,11H,2,10H2,1H3;1-2H3 | 1-(2-amino-5-methylphenyl)ethenol;2-(4,4-dimethylpiperidin-1-yl)-8-ethyl-6-fluoro-3-methylquinazolin-4-one;ethane | C29H41FN4O2 |
161,795,219 | C.C1COC=N1.C1COC=N1 | C.C1=NCCO1.C1=NCCO1 | [C].[C][=N][C][C][O][Ring1][Branch1].[C][=N][C][C][O][Ring1][Branch1] | InChI=1S/2C3H5NO.CH4/c2*1-2-5-3-4-1;/h2*3H,1-2H2;1H4 | bis(4,5-dihydro-1,3-oxazole);methane | C7H14N2O2 |
100,795,592 | CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C#N)OC | COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C] | InChI=1S/C24H23N3O4S/c1-18-13-22(11-12-23(18)31-2)32(29,30)27(16-19-7-4-3-5-8-19)17-24(28)26-21-10-6-9-20(14-21)15-25/h3-14H,16-17H2,1-2H3,(H,26,28) | 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide | C24H23N3O4S |
22,281,746 | COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(=O)CC3)O | COc1ccc2nccc(C(O)CN3CCC(=O)CC3)c2c1 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch1][P][C][Branch1][C][O][C][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | InChI=1S/C17H20N2O3/c1-22-13-2-3-16-15(10-13)14(4-7-18-16)17(21)11-19-8-5-12(20)6-9-19/h2-4,7,10,17,21H,5-6,8-9,11H2,1H3 | 1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-one | C17H20N2O3 |
9,068,082 | COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC=CC=C2SCC(=O)N | COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1SCC(N)=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][Branch1][C][N][=O] | InChI=1S/C16H16N2O5S2/c1-23-16(20)11-6-2-5-9-14(11)25(21,22)18-12-7-3-4-8-13(12)24-10-15(17)19/h2-9,18H,10H2,1H3,(H2,17,19) | methyl 2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]sulfamoyl]benzoate | C16H16N2O5S2 |
3,420,356 | CCN1C(=C(C=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)NC4=CC=CC=C4C)C5=CC=CC=C5)C | CCn1ncc(C=c2sc3n(c2=O)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C | [C][C][N][N][=C][C][Branch2][Ring2][S][C][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][N][=Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P][C] | InChI=1S/C28H27N5O2S/c1-5-32-19(4)21(16-29-32)15-23-27(35)33-25(20-12-7-6-8-13-20)24(18(3)30-28(33)36-23)26(34)31-22-14-10-9-11-17(22)2/h6-16,25H,5H2,1-4H3,(H,31,34) | 2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide | C28H27N5O2S |
21,763,860 | COCOC1=CC=CC=C1CCCCCCCCCOC2CCCCO2 | COCOc1ccccc1CCCCCCCCCOC1CCCCO1 | [C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][C][C][C][O][C][C][C][C][C][O][Ring1][=Branch1] | InChI=1S/C22H36O4/c1-23-19-26-21-15-9-8-14-20(21)13-7-5-3-2-4-6-11-17-24-22-16-10-12-18-25-22/h8-9,14-15,22H,2-7,10-13,16-19H2,1H3 | 2-[9-[2-(methoxymethoxy)phenyl]nonoxy]oxane | C22H36O4 |
22,588,206 | COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=O | COc1cccc(N2CCN(C(=O)C3CCC(Cn4c(=O)[nH]c5ccccc5c4=O)CC3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][N][C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O][=C][Ring2][Ring1][P] | InChI=1S/C27H32N4O4/c1-35-22-6-4-5-21(17-22)29-13-15-30(16-14-29)25(32)20-11-9-19(10-12-20)18-31-26(33)23-7-2-3-8-24(23)28-27(31)34/h2-8,17,19-20H,9-16,18H2,1H3,(H,28,34) | 3-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione | C27H32N4O4 |
134,010,789 | CC1CCCC(N1C(=O)CSC2=NN=CN2CCC3=CC=CS3)C | CC1CCCC(C)N1C(=O)CSc1nncn1CCc1cccs1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1] | InChI=1S/C17H24N4OS2/c1-13-5-3-6-14(2)21(13)16(22)11-24-17-19-18-12-20(17)9-8-15-7-4-10-23-15/h4,7,10,12-14H,3,5-6,8-9,11H2,1-2H3 | 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone | C17H24N4OS2 |
143,180,481 | CC1=CC=C(C=C1)OCC(=C)/C=C\C=C | C=C/C=C\C(=C)COc1ccc(C)cc1 | [C][=C][/C][=C][\C][=Branch1][C][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | InChI=1S/C14H16O/c1-4-5-6-13(3)11-15-14-9-7-12(2)8-10-14/h4-10H,1,3,11H2,2H3/b6-5- | 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]benzene | C14H16O |
135,130,249 | CCSC1=C(N=CC(=C1)C2(CC2)C#N)C3=NC4=CC(=NN=C4N3C)C(F)(F)F | CCSc1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C | [C][C][S][C][=C][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][N][=C][Ring1][O][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][=C][Ring1][#Branch2][N][Ring1][=N][C] | InChI=1S/C18H15F3N6S/c1-3-28-12-6-10(17(9-22)4-5-17)8-23-14(12)16-24-11-7-13(18(19,20)21)25-26-15(11)27(16)2/h6-8H,3-5H2,1-2H3 | 1-[5-ethylsulfanyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]cyclopropane-1-carbonitrile | C18H15F3N6S |
171,512,517 | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(C(=CO4)C5=CC=CC(=C5)CNS(=O)(=O)C)N=C3 | CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc4c(-c5cccc(CNS(C)(=O)=O)c5)coc4c3)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N][=C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=C][Rin... | InChI=1S/C30H34N4O5S/c1-30(2,3)39-29(35)34-14-12-33(13-15-34)25-10-8-22(9-11-25)24-17-27-28(31-19-24)26(20-38-27)23-7-5-6-21(16-23)18-32-40(4,36)37/h5-11,16-17,19-20,32H,12-15,18H2,1-4H3 | tert-butyl 4-[4-[3-[3-(methanesulfonamidomethyl)phenyl]furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate | C30H34N4O5S |
79,629,651 | CC(C)(CN1N=C(N=N1)C2=CC=CC=C2)C(=O)OC | COC(=O)C(C)(C)Cn1nnc(-c2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | InChI=1S/C13H16N4O2/c1-13(2,12(18)19-3)9-17-15-11(14-16-17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 | methyl 2,2-dimethyl-3-(5-phenyltetrazol-2-yl)propanoate | C13H16N4O2 |
67,931,478 | CC1C2CCC3C4CCC[C@]4(CCC3[C@]2(C(CC1(O)O)(N5CCCCC5)N6CCNCC6)C)C | CC1C2CCC3C4CCC[C@@]4(C)CCC3[C@@]2(C)C(N2CCCCC2)(N2CCNCC2)CC1(O)O | [C][C][C][C][C][C][C][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][C][C][Ring1][#Branch2][C@@][Ring1][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][#C][Branch1][C][O][O] | InChI=1S/C29H51N3O2/c1-21-23-10-9-22-24-8-7-12-26(24,2)13-11-25(22)27(23,3)29(20-28(21,33)34,31-16-5-4-6-17-31)32-18-14-30-15-19-32/h21-25,30,33-34H,4-20H2,1-3H3/t21?,22?,23?,24?,25?,26-,27-,29?/m0/s1 | (10R,13S)-4,10,13-trimethyl-1-piperazin-1-yl-1-piperidin-1-yl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,3-diol | C29H51N3O2 |
141,410,932 | CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C4C(=C3)C=C(N4)C)C#N | Cc1cc2cc(-c3nc(-c4ccccc4C)no3)cc(C#N)c2[nH]1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][Ring1][N][=C][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] | InChI=1S/C19H14N4O/c1-11-5-3-4-6-16(11)18-22-19(24-23-18)14-8-13-7-12(2)21-17(13)15(9-14)10-20/h3-9,21H,1-2H3 | 2-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-indole-7-carbonitrile | C19H14N4O |
154,087,820 | C1=CC=C(C=C1)CSC2N=CC(=O)S2 | O=C1C=NC(SCc2ccccc2)S1 | [O][=C][C][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | InChI=1S/C10H9NOS2/c12-9-6-11-10(14-9)13-7-8-4-2-1-3-5-8/h1-6,10H,7H2 | 2-benzylsulfanyl-2H-1,3-thiazol-5-one | C10H9NOS2 |
165,455,990 | CN1C=C(C(=N1)Br)S(=O)[O-].[Na+] | Cn1cc(S(=O)[O-])c(Br)n1.[Na+] | [C][N][C][=C][Branch1][=Branch1][S][=Branch1][C][=O][O-1][C][Branch1][C][Br][=N][Ring1][=Branch2].[Na+1] | InChI=1S/C4H5BrN2O2S.Na/c1-7-2-3(10(8)9)4(5)6-7;/h2H,1H3,(H,8,9);/q;+1/p-1 | sodium 3-bromo-1-methylpyrazole-4-sulfinate | C4H4BrN2NaO2S |
45,713,671 | CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC)C | COc1ccc(-c2nnc(SC(C)C(=O)Nc3c(C)cc(C)cc3C)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][Ring2][Ring1][Ring2][N][C][=C][Ring2][Ring1][O] | InChI=1S/C21H25N5O2S/c1-12-10-13(2)18(14(3)11-12)23-20(27)15(4)29-21-25-24-19(26(21)22)16-6-8-17(28-5)9-7-16/h6-11,15H,22H2,1-5H3,(H,23,27) | 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide | C21H25N5O2S |
41,475,463 | CCOC(=O)C1CCN(CC1)C(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 | CCOC(=O)C1CCN(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][=C] | InChI=1S/C26H27N3O5S/c1-2-33-26(32)19-12-14-28(15-13-19)23(30)18-34-24(31)11-10-20-17-29(21-7-4-3-5-8-21)27-25(20)22-9-6-16-35-22/h3-11,16-17,19H,2,12-15,18H2,1H3/b11-10+ | ethyl 1-[2-[(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate | C26H27N3O5S |
108,610,043 | CC1=C(C2=CC=CC=C2N1)C3/C(=C(/C4=C(C=CC=C4OC)OC)\O)/C(=O)C(=O)N3CC5=CC=CO5 | COc1cccc(OC)c1/C(O)=C1\C(=O)C(=O)N(Cc2ccco2)C1c1c(C)[nH]c2ccccc12 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=N][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | InChI=1S/C27H24N2O6/c1-15-21(17-9-4-5-10-18(17)28-15)24-23(25(30)22-19(33-2)11-6-12-20(22)34-3)26(31)27(32)29(24)14-16-8-7-13-35-16/h4-13,24,28,30H,14H2,1-3H3/b25-23+ | (4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(2-methyl-1H-indol-3-yl)pyrrolidine-2,3-dione | C27H24N2O6 |
51,698,461 | CCOC1=CC=C(C=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)C(OC)OC | CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)C(OC)OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][O][C][C][=C][Ring2][Ring1][=Branch1] | InChI=1S/C19H25NO5/c1-4-25-14-11-9-13(10-12-14)20-18(22)16-8-6-5-7-15(16)17(21)19(23-2)24-3/h5-6,9-12,15-16,19H,4,7-8H2,1-3H3,(H,20,22)/t15-,16-/m0/s1 | (1S,6S)-6-(2,2-dimethoxyacetyl)-N-(4-ethoxyphenyl)cyclohex-3-ene-1-carboxamide | C19H25NO5 |
5,250,485 | CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=C(C=C2)O)C(=O)C | CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(O)cc1 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | InChI=1S/C17H19NO3/c1-9-15(11(3)19)17(13-5-7-14(21)8-6-13)16(12(4)20)10(2)18-9/h5-8,17-18,21H,1-4H3 | 1-[5-acetyl-4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone | C17H19NO3 |
131,113,930 | CCC(C)C1(CCC=CC1)CO | CCC(C)C1(CO)CC=CCC1 | [C][C][C][Branch1][C][C][C][Branch1][Ring1][C][O][C][C][=C][C][C][Ring1][Branch2] | InChI=1S/C11H20O/c1-3-10(2)11(9-12)7-5-4-6-8-11/h4-5,10,12H,3,6-9H2,1-2H3 | (1-butan-2-ylcyclohex-3-en-1-yl)methanol | C11H20O |
19,260,716 | CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)Br | CN(C)c1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][/C][=C][/S][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#Branch2] | InChI=1S/C21H20BrN3O3S/c1-24(2)17-9-3-14(4-10-17)13-18-20(27)25(21(28)29-18)12-11-19(26)23-16-7-5-15(22)6-8-16/h3-10,13H,11-12H2,1-2H3,(H,23,26)/b18-13+ | N-(4-bromophenyl)-3-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamide | C21H20BrN3O3S |
49,942,804 | CCN1CCCC1CNCC2=CC(=CC=C2)OCC3=CC(=C(C=C3)Cl)Cl | CCN1CCCC1CNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 | [C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][S] | InChI=1S/C21H26Cl2N2O/c1-2-25-10-4-6-18(25)14-24-13-16-5-3-7-19(11-16)26-15-17-8-9-20(22)21(23)12-17/h3,5,7-9,11-12,18,24H,2,4,6,10,13-15H2,1H3 | N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine | C21H26Cl2N2O |
59,759,181 | CCC1=CN=C(N=C1)N(CCCOC2=CC=C(C=C2)C)CCC3=CSC(=N3)SC(C)(C)C(=O)O | CCc1cnc(N(CCCOc2ccc(C)cc2)CCc2csc(SC(C)(C)C(=O)O)n2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring2][O][N][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][=C][S][C][Branch1][=C][S][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=N][Ring1][N][N][=C][Ring2][Ring1][S] | InChI=1S/C25H32N4O3S2/c1-5-19-15-26-23(27-16-19)29(12-6-14-32-21-9-7-18(2)8-10-21)13-11-20-17-33-24(28-20)34-25(3,4)22(30)31/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,30,31) | 2-[[4-[2-[(5-ethylpyrimidin-2-yl)-[3-(4-methylphenoxy)propyl]amino]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid | C25H32N4O3S2 |
153,504,412 | B12C3=CC=CC=C3N(C4=C1C(=CC(=C4)OC5=CC6=CC=CC=C6C=C5)N(C7=CC8=C(B9C1=CC=CC=C1OC1=C9C(=CC(=C1)OC1=CC3=CC=CC=C3C=C1)O8)C=C27)C1=CC=CC=C1)C1=CC=CC=C1 | c1ccc(N2c3ccccc3B3c4cc5c(cc4N(c4ccccc4)c4cc(Oc6ccc7ccccc7c6)cc2c43)Oc2cc(Oc3ccc4ccccc4c3)cc3c2B5c2ccccc2O3)cc1 | [C][=C][C][=C][Branch2][Branch2][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][B][C][=C][C][=C][Branch2][Ring2][#C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Ring2][Ring2][... | InChI=1S/C62H38B2N2O4/c1-3-19-43(20-4-1)65-53-25-13-11-23-49(53)63-51-37-52-58(70-60-36-48(68-46-30-28-40-16-8-10-18-42(40)32-46)35-59-62(60)64(52)50-24-12-14-26-57(50)69-59)38-54(51)66(44-21-5-2-6-22-44)56-34-47(33-55(65)61(56)63)67-45-29-27-39-15-7-9-17-41(39)31-45/h1-38H | 15,25-dinaphthalen-2-yloxy-22,28-diphenyl-12,18-dioxa-22,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene | C62H38B2N2O4 |
160,242,817 | CN(C1CCN(CC1)C(=O)N2CC[C@H]3[C@@H](C2)CC(=O)CO3)C(=O)C4=CC=C(C=C4)C(F)(F)F | CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)N2CC[C@@H]3OCC(=O)C[C@@H]3C2)CC1 | [C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][O][C][C][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][C][Ring1][O][C][C][Ring2][Ring1][Ring1] | InChI=1S/C23H28F3N3O4/c1-27(21(31)15-2-4-17(5-3-15)23(24,25)26)18-6-9-28(10-7-18)22(32)29-11-8-20-16(13-29)12-19(30)14-33-20/h2-5,16,18,20H,6-14H2,1H3/t16-,20+/m1/s1 | N-[1-[(4aR,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carbonyl]piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide | C23H28F3N3O4 |
56,937,816 | CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC | CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] | InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-34-31-27-25-23-20-17-14-11-8-5-2/h28-29,54H,4-27,30-53H2,1-3H3/b29-28-/t54-/m1/s1 | [(2R)-2-nonadecanoyloxy-3-tridecanoyloxypropyl] (Z)-docos-11-enoate | C57H108O6 |
177,560,810 | C/C(=C/C1=CC=NC=C1)/C2=CC=CC2 | C/C(=C/c1ccncc1)C1=CC=CC1 | [C][/C][=Branch1][#Branch2][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Ring1][Branch1] | InChI=1S/C13H13N/c1-11(13-4-2-3-5-13)10-12-6-8-14-9-7-12/h2-4,6-10H,5H2,1H3/b11-10- | 4-[(Z)-2-cyclopenta-1,3-dien-1-ylprop-1-enyl]pyridine | C13H13N |
159,956,215 | CCC1=CC2=C(C=C1)C(C3=C2C=C(C(=C3)C4=CC=CC=[N+]4C)C)(C)C.CCC1=CC2=C(C=C1)C3=C(C2(C)C)C=C(C(=C3)C)C4=CC=CC=[N+]4C.CCC1=C2C(=CC=C1)C(C3=C2C=C(C(=C3)C4=CC=CC=[N+]4C)C)(C)C.CCC1=C2C(=CC=C1)C3=C(C2(C)C)C=C(C(=C3)C)C4=CC=CC=[N+]4C | CCc1ccc2c(c1)-c1cc(C)c(-c3cccc[n+]3C)cc1C2(C)C.CCc1ccc2c(c1)C(C)(C)c1cc(-c3cccc[n+]3C)c(C)cc1-2.CCc1cccc2c1-c1cc(C)c(-c3cccc[n+]3C)cc1C2(C)C.CCc1cccc2c1C(C)(C)c1cc(-c3cccc[n+]3C)c(C)cc1-2 | [C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][=C][Ring1][=C][C][Ring2][Ring1][C][Branch1][C][C][C].[C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch... | InChI=1S/4C24H26N/c1-6-17-10-9-11-20-23(17)19-14-16(2)18(15-21(19)24(20,3)4)22-12-7-8-13-25(22)5;1-6-17-10-9-11-18-20-14-16(2)19(22-12-7-8-13-25(22)5)15-21(20)24(3,4)23(17)18;1-6-17-10-11-21-20(14-17)19-13-16(2)18(15-22(19)24(21,3)4)23-9-7-8-12-25(23)5;1-6-17-10-11-18-20-13-16(2)19(23-9-7-8-12-25(23)5)15-22(20)24(3,4)2... | 2-(5-ethyl-3,9,9-trimethylfluoren-2-yl)-1-methylpyridin-1-ium;2-(6-ethyl-3,9,9-trimethylfluoren-2-yl)-1-methylpyridin-1-ium;2-(7-ethyl-3,9,9-trimethylfluoren-2-yl)-1-methylpyridin-1-ium;2-(8-ethyl-3,9,9-trimethylfluoren-2-yl)-1-methylpyridin-1-ium | C96H104N4+4 |
39,349,126 | CC1=CC(=CC=C1)C2=NN=C(O2)CCCC(=O)O | Cc1cccc(-c2nnc(CCCC(=O)O)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][O][Ring1][O][=C][Ring1][P] | InChI=1S/C13H14N2O3/c1-9-4-2-5-10(8-9)13-15-14-11(18-13)6-3-7-12(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,16,17) | 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid | C13H14N2O3 |
166,269,547 | C1COCC1C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)N5CCOC5=O | O=C1OCCN1c1ccc(-c2noc(-c3ccc(C4CCOC4)cc3)n2)cc1 | [O][=C][O][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | InChI=1S/C21H19N3O4/c25-21-24(10-12-27-21)18-7-5-15(6-8-18)19-22-20(28-23-19)16-3-1-14(2-4-16)17-9-11-26-13-17/h1-8,17H,9-13H2 | 3-[4-[5-[4-(oxolan-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one | C21H19N3O4 |
170,944,696 | C[C@@H](C1=NC(=C(C(=O)N1C)O)C(=O)NC2=CON=C2)[C@H](C3=C(C=CC(=C3)F)Cl)C4=CN(N=C4C#N)C | C[C@@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@H](c1cc(F)ccc1Cl)c1cn(C)nc1C#N | [C][C@@H1][Branch2][Ring1][=C][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=N][O][C][=Ring1][Branch1][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][S][C][C@H1][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][#N] | InChI=1S/C23H19ClFN7O4/c1-11(18(14-6-12(25)4-5-16(14)24)15-9-31(2)30-17(15)7-26)21-29-19(20(33)23(35)32(21)3)22(34)28-13-8-27-36-10-13/h4-6,8-11,18,33H,1-3H3,(H,28,34)/t11-,18-/m1/s1 | 2-[(1S,2R)-1-(2-chloro-5-fluorophenyl)-1-(3-cyano-1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide | C23H19ClFN7O4 |
130,545,054 | CCC(C)(C1=C(C=C(C=N1)F)F)C(=O)O | CCC(C)(C(=O)O)c1ncc(F)cc1F | [C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | InChI=1S/C10H11F2NO2/c1-3-10(2,9(14)15)8-7(12)4-6(11)5-13-8/h4-5H,3H2,1-2H3,(H,14,15) | 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid | C10H11F2NO2 |
139,836,411 | C1CCCC2=C(C=CC(=C2CC1)N)N | Nc1ccc(N)c2c1CCCCCC2 | [N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][Branch2] | InChI=1S/C12H18N2/c13-11-7-8-12(14)10-6-4-2-1-3-5-9(10)11/h7-8H,1-6,13-14H2 | 5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,4-diamine | C12H18N2 |
45,100,222 | C1CC(OC1)CNC2=NN=C(S2)SCC3=NOC(=C3)C4=CC=CO4 | c1coc(-c2cc(CSc3nnc(NCC4CCCO4)s3)no2)c1 | [C][=C][O][C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][S][Ring1][N][=N][O][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2] | InChI=1S/C15H16N4O3S2/c1-3-11(20-5-1)8-16-14-17-18-15(24-14)23-9-10-7-13(22-19-10)12-4-2-6-21-12/h2,4,6-7,11H,1,3,5,8-9H2,(H,16,17) | 5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine | C15H16N4O3S2 |
21,595,823 | C1C[C@H]2C3=C(CCN2CC4=CC=CC=C4)C5=CC=CC=C5N3[C@H]1C6=CN7C8=CC=CC=C8C9=C7C(C6)N(CC9)CC1=CC=CC=C1 | C1=C([C@H]2CC[C@H]3c4c(c5ccccc5n42)CCN3Cc2ccccc2)CC2c3c(c4ccccc4n31)CCN2Cc1ccccc1 | [C][=C][Branch2][Ring2][Ring2][C@H1][C][C][C@H1][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=N][C][C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring2][Ring2][Ring2][C][C][N][Ring1][... | InChI=1S/C42H40N4/c1-3-11-29(12-4-1)26-43-23-22-35-33-16-8-10-18-38(33)46-36(19-20-39(43)42(35)46)31-25-40-41-34(32-15-7-9-17-37(32)45(41)28-31)21-24-44(40)27-30-13-5-2-6-14-30/h1-18,28,36,39-40H,19-27H2/t36-,39+,40?/m1/s1 | 6-benzyl-3-[(2R,5S)-6-benzyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-yl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene | C42H40N4 |
46,856,374 | COC(=O)C1=C(CCNC1=O)[O-].[Na+] | COC(=O)C1=C([O-])CCNC1=O.[Na+] | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O-1][C][C][N][C][Ring1][#Branch1][=O].[Na+1] | InChI=1S/C7H9NO4.Na/c1-12-7(11)5-4(9)2-3-8-6(5)10;/h9H,2-3H2,1H3,(H,8,10);/q;+1/p-1 | sodium 5-methoxycarbonyl-6-oxo-2,3-dihydro-1H-pyridin-4-olate | C7H8NNaO4 |
164,238,836 | CCCCCCCCCCCCCCCCCCCC(C(CO)NC(=O)CC(CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCC/C=C\CCCCCCCC)O | CCCCC/C=C\C/C=C\CCCCCCCC(CC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC/C=C\CCCCCCCC | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C] | InChI=1S/C58H109NO5/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(61)55(53-60)59-57(62)52-54(49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2)64-58(63)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3/h17,20,26,29,31,36,54-56,60-61H,4-16,18-19,21-25,27-28,30,32-35,37-53H2,1-3H3,(H,59,62)/b20-17-,29-26-,36-31- | [(11Z,14Z)-1-(1,3-dihydroxydocosan-2-ylamino)-1-oxoicosa-11,14-dien-3-yl] (Z)-hexadec-7-enoate | C58H109NO5 |
41,202,701 | CCOCCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=NC4=CC=CC=C4S3 | CCOCCn1c(=NC(=O)c2nc3ccccc3s2)sc2cccc(Cl)c21 | [C][C][O][C][C][N][C][=Branch2][Ring1][Ring1][=N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | InChI=1S/C19H16ClN3O2S2/c1-2-25-11-10-23-16-12(20)6-5-9-15(16)27-19(23)22-17(24)18-21-13-7-3-4-8-14(13)26-18/h3-9H,2,10-11H2,1H3 | N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-2-carboxamide | C19H16ClN3O2S2 |
81,034,231 | CC(C)CC(C)(C)CCNCC(C)C | CC(C)CNCCC(C)(C)CC(C)C | [C][C][Branch1][C][C][C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C] | InChI=1S/C13H29N/c1-11(2)9-13(5,6)7-8-14-10-12(3)4/h11-12,14H,7-10H2,1-6H3 | 3,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine | C13H29N |
5,282,763 | CC/C=C/CCCCCCCCCCCCCC(=O)O | CC/C=C/CCCCCCCCCCCCCC(=O)O | [C][C][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)/b4-3+ | (E)-octadec-15-enoic acid | C18H34O2 |
173,333,220 | CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)NS2(=O)=O.[Na+].[Na+] | CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].O=C1NS(=O)(=O)c2ccccc21.[Na+].[Na+] | [C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[O][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O].[Na+1].[Na+1] | InChI=1S/2C12H26O4S.C7H5NO3S.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h2*2-12H2,1H3,(H,13,14,15);1-4H,(H,8,9);;/q;;;2*+1/p-2 | disodium;1,1-dioxo-1,2-benzothiazol-3-one;dodecyl sulfate | C31H55NNa2O11S3 |
130,177,662 | C(=C(/C#N)\C(=O)NC(=O)OI)\OI | N#C/C(=C/OI)C(=O)NC(=O)OI | [N][#C][/C][=Branch1][Ring2][=C][/O][I][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][I] | InChI=1S/C5H2I2N2O4/c6-12-2-3(1-8)4(10)9-5(11)13-7/h2H,(H,9,10,11)/b3-2- | iodo N-[(Z)-2-cyano-3-iodooxyprop-2-enoyl]carbamate | C5H2I2N2O4 |
57,192,404 | C1=CC2=C(C=CC(=C2O)C=O)C(=C1)N | Nc1cccc2c(O)c(C=O)ccc12 | [N][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][=N][Ring1][=Branch2] | InChI=1S/C11H9NO2/c12-10-3-1-2-9-8(10)5-4-7(6-13)11(9)14/h1-6,14H,12H2 | 5-amino-1-hydroxynaphthalene-2-carbaldehyde | C11H9NO2 |
81,690,180 | C1=CC2=C(N=C1)N=C(N2)C3=NC=C(C=C3)N | Nc1ccc(-c2nc3ncccc3[nH]2)nc1 | [N][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][Ring1][#C] | InChI=1S/C11H9N5/c12-7-3-4-8(14-6-7)11-15-9-2-1-5-13-10(9)16-11/h1-6H,12H2,(H,13,15,16) | 6-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine | C11H9N5 |
118,916,262 | CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC(=NC3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O)Cl | CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3ccc(C(O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][C][Cl][=N][C][=C][C][=C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring... | InChI=1S/C31H31Cl3N4O3/c1-30(2,3)41-29(39)38-16-14-24(15-17-38)35-27-25-18-21(8-13-26(25)36-28(34)37-27)31(40,19-4-9-22(32)10-5-19)20-6-11-23(33)12-7-20/h4-13,18,24,40H,14-17H2,1-3H3,(H,35,36,37) | tert-butyl 4-[[6-[bis(4-chlorophenyl)-hydroxymethyl]-2-chloroquinazolin-4-yl]amino]piperidine-1-carboxylate | C31H31Cl3N4O3 |
144,077,290 | C1CC1CSC2CCN(C2)C(=O)C3(CC3)C4=CC=C(C=C4)Cl | O=C(N1CCC(SCC2CC2)C1)C1(c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][P][N][C][C][C][Branch1][Branch2][S][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2] | InChI=1S/C18H22ClNOS/c19-15-5-3-14(4-6-15)18(8-9-18)17(21)20-10-7-16(11-20)22-12-13-1-2-13/h3-6,13,16H,1-2,7-12H2 | [1-(4-chlorophenyl)cyclopropyl]-[3-(cyclopropylmethylsulfanyl)pyrrolidin-1-yl]methanone | C18H22ClNOS |
54,964,841 | CC(C1=CC(=CC=C1)Cl)NC2=C(C=NC=C2)N | CC(Nc1ccncc1N)c1cccc(Cl)c1 | [C][C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | InChI=1S/C13H14ClN3/c1-9(10-3-2-4-11(14)7-10)17-13-5-6-16-8-12(13)15/h2-9H,15H2,1H3,(H,16,17) | 4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine | C13H14ClN3 |
8,157,679 | C[C@@H](/C=N\NC(=S)NC1CCCCC1)C2=CC=CC=C2 | C[C@@H](/C=N\NC(=S)NC1CCCCC1)c1ccccc1 | [C][C@@H1][Branch1][P][/C][=N][\N][C][=Branch1][C][=S][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | InChI=1S/C16H23N3S/c1-13(14-8-4-2-5-9-14)12-17-19-16(20)18-15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H2,18,19,20)/b17-12-/t13-/m0/s1 | 1-cyclohexyl-3-[(Z)-[(2R)-2-phenylpropylidene]amino]thiourea | C16H23N3S |
63,216,641 | CC1=C(C=CC(=C1)Br)OCC2=C(C=CO2)CNC(C)C | Cc1cc(Br)ccc1OCc1occc1CNC(C)C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][O][C][=C][C][=Ring1][Branch1][C][N][C][Branch1][C][C][C] | InChI=1S/C16H20BrNO2/c1-11(2)18-9-13-6-7-19-16(13)10-20-15-5-4-14(17)8-12(15)3/h4-8,11,18H,9-10H2,1-3H3 | N-[[2-[(4-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine | C16H20BrNO2 |
117,053,656 | CC1=NOC(=C1)C(C)OC2=CC=CC(=C2)C(=O)OC | COC(=O)c1cccc(OC(C)c2cc(C)no2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][O][C][Branch1][C][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring1][#C] | InChI=1S/C14H15NO4/c1-9-7-13(19-15-9)10(2)18-12-6-4-5-11(8-12)14(16)17-3/h4-8,10H,1-3H3 | methyl 3-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate | C14H15NO4 |
100,200,119 | CC[C@H](C1=CC2=C(CCCC2)C=C1)NC(=O)CC3=CC(=CC=C3)Br | CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 | [C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] | InChI=1S/C21H24BrNO/c1-2-20(18-11-10-16-7-3-4-8-17(16)14-18)23-21(24)13-15-6-5-9-19(22)12-15/h5-6,9-12,14,20H,2-4,7-8,13H2,1H3,(H,23,24)/t20-/m1/s1 | 2-(3-bromophenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide | C21H24BrNO |
134,774,252 | CCCCCCCCCCCCCCCCCC(=O)OC(COCCC(C(=O)[O-])[N+](C)(C)C)COC(=O)CCCCCCCCCCCC/C=C/C=C/CCCCCC | CCCCCC/C=C/C=C/CCCCCCCCCCCCC(=O)OCC(COCCC(C(=O)[O-])[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC | [C][C][C][C][C][C][/C][=C][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][O][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] | InChI=1S/C51H95NO7/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-41-49(53)58-46-47(45-57-44-43-48(51(55)56)52(3,4)5)59-50(54)42-40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h16,18,20,22,47-48H,6-15,17,19,21,23-46H2,1-5H3/b18-16+,22-20+ | 4-[2-octadecanoyloxy-3-[(14E,16E)-tricosa-14,16-dienoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate | C51H95NO7 |
154,108,418 | C1=C(C(=O)NC(=O)N1C(C(Cl)Br)(F)F)[N+](=O)[O-] | O=c1[nH]c(=O)n(C(F)(F)C(Cl)Br)cc1[N+](=O)[O-] | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][Cl][Br][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1] | InChI=1S/C6H3BrClF2N3O4/c7-4(8)6(9,10)12-1-2(13(16)17)3(14)11-5(12)15/h1,4H,(H,11,14,15) | 1-(2-bromo-2-chloro-1,1-difluoroethyl)-5-nitropyrimidine-2,4-dione | C6H3BrClF2N3O4 |
99,796,648 | CC1=NOC(=C1)CNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C | Cc1cc(CNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)on1 | [C][C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][N][=Ring2][Ring1][Branch1] | InChI=1S/C15H25N3O4/c1-9-7-12(22-18-9)8-16-13(19)10(2)11(3)17-14(20)21-15(4,5)6/h7,10-11H,8H2,1-6H3,(H,16,19)(H,17,20)/t10-,11+/m0/s1 | tert-butyl N-[(2R,3S)-3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4-oxobutan-2-yl]carbamate | C15H25N3O4 |
89,808,099 | CCCCCCCCCCCCN(CCC[N+](C)(C)C)CC(C)C.[Br-] | CCCCCCCCCCCCN(CCC[N+](C)(C)C)CC(C)C.[Br-] | [C][C][C][C][C][C][C][C][C][C][C][C][N][Branch1][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C].[Br-1] | InChI=1S/C22H49N2.BrH/c1-7-8-9-10-11-12-13-14-15-16-18-23(21-22(2)3)19-17-20-24(4,5)6;/h22H,7-21H2,1-6H3;1H/q+1;/p-1 | 3-[dodecyl(2-methylpropyl)amino]propyl-trimethylazanium bromide | C22H49BrN2 |
118,688,201 | CC1=CCC(C=C1)N(C2=CC=C(C=C2)C)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C1=C6C=C(C=C1)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C=C(C=C5)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C | CC1=CCC(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc42)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)C=C1 | [C][C][=C][C][C][Branch2][O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][=Branch1][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C]... | InChI=1S/C81H70N4/c1-53-9-25-61(26-10-53)82(62-27-11-54(2)12-28-62)69-41-45-73-74-46-42-70(83(63-29-13-55(3)14-30-63)64-31-15-56(4)16-32-64)50-78(74)81(77(73)49-69)79-51-71(84(65-33-17-57(5)18-34-65)66-35-19-58(6)20-36-66)43-47-75(79)76-48-44-72(52-80(76)81)85(67-37-21-59(7)22-38-67)68-39-23-60(8)24-40-68/h9-39,41-52,6... | 7-N-(4-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N,2-N',2-N',7-N,7-N',7-N'-heptakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine | C81H70N4 |
92,180,310 | CC1=CC(=C(C=C1I)C(C)C)OC(=O)N[C@]2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F | Cc1cc(OC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c(C(C)C)cc1I | [C][C][=C][C][Branch2][Ring1][P][O][C][=Branch1][C][=O][N][C@@][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O][I] | InChI=1S/C19H16ClF3INO4/c1-9(2)12-8-13(24)10(3)6-15(12)27-17(26)25-19(18(21,22)23)28-14-5-4-11(20)7-16(14)29-19/h4-9H,1-3H3,(H,25,26)/t19-/m0/s1 | (4-iodo-5-methyl-2-propan-2-ylphenyl) N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate | C19H16ClF3INO4 |
63,220,542 | CC1=CC(=CC=C1)CC2(CCOCC2)O | Cc1cccc(CC2(O)CCOCC2)c1 | [C][C][=C][C][=C][C][Branch1][=N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][=C][Ring1][=C] | InChI=1S/C13H18O2/c1-11-3-2-4-12(9-11)10-13(14)5-7-15-8-6-13/h2-4,9,14H,5-8,10H2,1H3 | 4-[(3-methylphenyl)methyl]oxan-4-ol | C13H18O2 |
20,984,249 | COC1=CC(=CC=C1)OCCOC2=C(C=CC(=C2)C(=S)N)OC | COc1cccc(OCCOc2cc(C(N)=S)ccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][C][=C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][Branch1] | InChI=1S/C17H19NO4S/c1-19-13-4-3-5-14(11-13)21-8-9-22-16-10-12(17(18)23)6-7-15(16)20-2/h3-7,10-11H,8-9H2,1-2H3,(H2,18,23) | 4-methoxy-3-[2-(3-methoxyphenoxy)ethoxy]benzenecarbothioamide | C17H19NO4S |
86,599,441 | CC1=NC(=CC=C1)N(CCO)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N | Cc1cccc(N(CCO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][Branch1][Ring2][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][=C][=N][Ring2][Ring1][O] | InChI=1S/C21H19N3O3S/c1-16-3-2-4-21(23-16)24(13-14-25)28(26,27)20-11-9-19(10-12-20)18-7-5-17(15-22)6-8-18/h2-12,25H,13-14H2,1H3 | 4-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide | C21H19N3O3S |
108,723,589 | CC(C)(C)C1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC(=CC(=C5O4)OC)Cl)C6=CC=CC=N6 | COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(C(C)(C)C)cc5s4)C3c3ccccn3)oc12 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][C][=C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][Ring1][=N][C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=... | InChI=1S/C30H24ClN3O5S/c1-30(2,3)16-8-9-18-22(13-16)40-29(33-18)34-24(19-7-5-6-10-32-19)23(26(36)28(34)37)25(35)20-12-15-11-17(31)14-21(38-4)27(15)39-20/h5-14,24,36H,1-4H3 | 1-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one | C30H24ClN3O5S |
87,297,229 | CC(=O)OC(C#N)C1=CC(=CC=C1)OS(=O)(=O)C | CC(=O)OC(C#N)c1cccc(OS(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O] | InChI=1S/C11H11NO5S/c1-8(13)16-11(7-12)9-4-3-5-10(6-9)17-18(2,14)15/h3-6,11H,1-2H3 | [cyano-(3-methylsulfonyloxyphenyl)methyl] acetate | C11H11NO5S |
65,693,476 | CC1=CC(=C(C(=C1)OC2=NC=CC(=C2N)C(=O)OC)C)C | COC(=O)c1ccnc(Oc2cc(C)cc(C)c2C)c1N | [C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][P][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][S][N] | InChI=1S/C16H18N2O3/c1-9-7-10(2)11(3)13(8-9)21-15-14(17)12(5-6-18-15)16(19)20-4/h5-8H,17H2,1-4H3 | methyl 3-amino-2-(2,3,5-trimethylphenoxy)pyridine-4-carboxylate | C16H18N2O3 |
136,365,246 | CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)C)C(C2=C(C=CC(=C2)C(C)(C)C)OCCCCCCCC)(C(CC3=CC=CC=C3)N=CC4=C(C=CC(=C4)C(F)(F)F)O)O | CCCCCCCCOc1ccc(C(C)(C)C)cc1C(O)(c1cc(C(C)(C)C)ccc1OCCCCCCCC)C(Cc1ccccc1)N=Cc1cc(C(F)(F)F)ccc1O | [C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][O][Branch2][Ring1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][C][C][C][C][C][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][... | InChI=1S/C53H72F3NO4/c1-9-11-13-15-17-22-32-60-47-30-27-41(50(3,4)5)36-44(47)52(59,45-37-42(51(6,7)8)28-31-48(45)61-33-23-18-16-14-12-10-2)49(34-39-24-20-19-21-25-39)57-38-40-35-43(53(54,55)56)26-29-46(40)58/h19-21,24-31,35-38,49,58-59H,9-18,22-23,32-34H2,1-8H3 | 2-[[1,1-bis(5-tert-butyl-2-octoxyphenyl)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-4-(trifluoromethyl)phenol | C53H72F3NO4 |
65,679,785 | C1CC(CC=C1)NC(=O)N2CSCC2C(=O)O | O=C(O)C1CSCN1C(=O)NC1CC=CCC1 | [O][=C][Branch1][C][O][C][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][C][Ring1][=Branch1] | InChI=1S/C11H16N2O3S/c14-10(15)9-6-17-7-13(9)11(16)12-8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,12,16)(H,14,15) | 3-(cyclohex-3-en-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid | C11H16N2O3S |
134,844,963 | CN1C=CC2=CC3=C(C=C21)[Si](CC3)(C4=CC=CC=C4)C5=CC=CC=C5 | Cn1ccc2cc3c(cc21)[Si](c1ccccc1)(c1ccccc1)CC3 | [C][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | InChI=1S/C23H21NSi/c1-24-14-12-18-16-19-13-15-25(23(19)17-22(18)24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,14,16-17H,13,15H2,1H3 | 1-methyl-7,7-diphenyl-5,6-dihydrosilolo[3,2-f]indole | C23H21NSi |
73,058,434 | C1=CN2C=C(N=C2N=C1)C(=O)NC3=CC(=C(C=C3)OC4=NC=C(C=C4)Cl)Cl | O=C(Nc1ccc(Oc2ccc(Cl)cn2)c(Cl)c1)c1cn2cccnc2n1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2] | InChI=1S/C18H11Cl2N5O2/c19-11-2-5-16(22-9-11)27-15-4-3-12(8-13(15)20)23-17(26)14-10-25-7-1-6-21-18(25)24-14/h1-10H,(H,23,26) | N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide | C18H11Cl2N5O2 |
175,501,054 | CCON(CCCC(C)O[Si](CCCN)(OCC)OCC)OCC | CCON(CCCC(C)O[Si](CCCN)(OCC)OCC)OCC | [C][C][O][N][Branch2][Ring1][Branch2][C][C][C][C][Branch1][C][C][O][Si][Branch1][Branch1][C][C][C][N][Branch1][Ring2][O][C][C][O][C][C][O][C][C] | InChI=1S/C16H38N2O5Si/c1-6-19-18(20-7-2)14-10-12-16(5)23-24(21-8-3,22-9-4)15-11-13-17/h16H,6-15,17H2,1-5H3 | 4-[3-aminopropyl(diethoxy)silyl]oxy-N,N-diethoxypentan-1-amine | C16H38N2O5Si |
78,170,508 | C1C2C(NNC2C3=CC=CC=C31)C4=CC(=C(C=C4)Cl)Cl | Clc1ccc(C2NNC3c4ccccc4CC23)cc1Cl | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Cl] | InChI=1S/C16H14Cl2N2/c17-13-6-5-10(8-14(13)18)15-12-7-9-3-1-2-4-11(9)16(12)20-19-15/h1-6,8,12,15-16,19-20H,7H2 | 3-(3,4-dichlorophenyl)-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrazole | C16H14Cl2N2 |
114,756,186 | CC1(CC2=C(C1NCC3(CC3)CCO)C=C(C=C2)Cl)C | CC1(C)Cc2ccc(Cl)cc2C1NCC1(CCO)CC1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][N][C][C][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch1] | InChI=1S/C17H24ClNO/c1-16(2)10-12-3-4-13(18)9-14(12)15(16)19-11-17(5-6-17)7-8-20/h3-4,9,15,19-20H,5-8,10-11H2,1-2H3 | 2-[1-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclopropyl]ethanol | C17H24ClNO |
62,570,243 | CC1CCN(C(C1)C)CCCNC2=CC=CC=C2 | CC1CCN(CCCNc2ccccc2)C(C)C1 | [C][C][C][C][N][Branch1][=N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][Ring1][P] | InChI=1S/C16H26N2/c1-14-9-12-18(15(2)13-14)11-6-10-17-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3 | N-[3-(2,4-dimethylpiperidin-1-yl)propyl]aniline | C16H26N2 |
168,839,498 | CC1(C2=C(C=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC8=C7OC9=CC=CC=C89)C2=CC=CC=C21)C | CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc21 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O... | InChI=1S/C51H37NO/c1-51(2)46-20-9-6-16-42(46)45-33-37(27-32-47(45)51)40-15-7-10-21-48(40)52(38-28-23-35(24-29-38)34-13-4-3-5-14-34)39-30-25-36(26-31-39)41-18-12-19-44-43-17-8-11-22-49(43)53-50(41)44/h3-33H,1-2H3 | N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline | C51H37NO |