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

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-5-[3-methoxy-4-(2-methylphenyl)phenyl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-5-[[3-methoxy-4-(2-methylphenyl)phenyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-5-[3-methoxy-4-(2-methylphenyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-5-[3-methoxy-4-(o-tolyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C35H29F2N3O3 MolecularWeight: 577.619866

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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=C(C=C(C=C6)F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C35H29F2N3O3/c1-22-7-3-5-9-28(22)29-15-12-23(17-33(29)43-2)35(42)40-21-27-14-16-32(39(27)20-25-8-4-6-10-31(25)40)34(41)38-19-24-11-13-26(36)18-30(24)37/h3-18H,19-21H2,1-2H3,(H,38,41)