5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: 5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[3-methoxy-4-(o-tolyl)benzoyl]-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-[3-methoxy-4-(2-methylphenyl)benzoyl]-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[3-methoxy-4-(o-tolyl)benzoyl]-N-(3-phenylpropyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C37H35N3O3 MolecularWeight: 569.6921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCCCC6=CC=CC=C6)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCCCC6=CC=CC=C6)OC

InChI

InChI=1S/C37H35N3O3/c1-26-11-6-8-16-31(26)32-20-18-28(23-35(32)43-2)37(42)40-25-30-19-21-34(39(30)24-29-15-7-9-17-33(29)40)36(41)38-22-10-14-27-12-4-3-5-13-27/h3-9,11-13,15-21,23H,10,14,22,24-25H2,1-2H3,(H,38,41)