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

Systemtic Name: 5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-N-(2-oxidanyl-2-phenyl-ethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-(2-hydroxy-2-phenyl-ethyl)-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-(2-hydroxy-2-phenylethyl)-5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-(2-hydroxy-2-phenylethyl)-5-[3-methoxy-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-(2-hydroxy-2-phenyl-ethyl)-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C36H33N3O4 MolecularWeight: 571.66492

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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)NCC(C6=CC=CC=C6)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C36H33N3O4/c1-24-10-6-8-14-29(24)30-18-16-26(20-34(30)43-2)36(42)39-23-28-17-19-32(38(28)22-27-13-7-9-15-31(27)39)35(41)37-21-33(40)25-11-4-3-5-12-25/h3-20,33,40H,21-23H2,1-2H3,(H,37,41)