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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[3-methoxy-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C37H33N3O5 MolecularWeight: 599.67502

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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)NCC6=CC7=C(C=C6)OCCO7)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)NCC6=CC7=C(C=C6)OCCO7)OC

InChI

InChI=1S/C37H33N3O5/c1-24-7-3-5-9-29(24)30-14-12-26(20-34(30)43-2)37(42)40-23-28-13-15-32(39(28)22-27-8-4-6-10-31(27)40)36(41)38-21-25-11-16-33-35(19-25)45-18-17-44-33/h3-16,19-20H,17-18,21-23H2,1-2H3,(H,38,41)