[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)propyl ester Formula: C31H26N4O3 MolecularWeight: 502.56314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

InChI

InChI=1S/C31H26N4O3/c1-2-28(30(36)35-26-11-5-3-8-20(26)13-14-21-9-4-6-12-27(21)35)38-31(37)22-15-16-24-25(18-22)34-29(33-24)23-10-7-17-32-19-23/h3-12,15-19,28H,2,13-14H2,1H3,(H,33,34)