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

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C29H22N4O3 MolecularWeight: 474.50998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

InChI

InChI=1S/C29H22N4O3/c34-27(33-25-9-3-1-6-19(25)11-12-20-7-2-4-10-26(20)33)18-36-29(35)21-13-14-23-24(16-21)32-28(31-23)22-8-5-15-30-17-22/h1-10,13-17H,11-12,18H2,(H,31,32)