N-[2-chloranyl-4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepin-5-ylcarbonyl)phenyl]-1,3-dimethyl-cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: N-[2-chloranyl-4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepin-5-ylcarbonyl)phenyl]-1,3-dimethyl-cyclohexa-2,4-diene-1-carboxamide Openeye Name: N-[2-chloro-4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)phenyl]-1,3-dimethyl-cyclohexa-2,4-diene-1-carboxamide CAS Name: N-[2-chloro-4-[6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepin-5-yl(oxo)methyl]phenyl]-1,3-dimethyl-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: N-[2-chloro-4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)phenyl]-1,3-dimethylcyclohexa-2,4-diene-1-carboxamide Traditional Name: N-[2-chloro-4-(6,7-dihydropyrrolo[2,1-d][1,5]benzodiazepine-5-carbonyl)phenyl]-1,3-dimethyl-cyclohexa-2,4-diene-1-carboxamide Formula: C28H26ClN3O2 MolecularWeight: 471.97794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC=C1)(C)C(=O)NC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CN4C5=CC=CC=C53)Cl

Isomeric SMILES

CC1=CC(CC=C1)(C)C(=O)NC2=C(C=C(C=C2)C(=O)N3CCC4=CC=CN4C5=CC=CC=C53)Cl

InChI

InChI=1S/C28H26ClN3O2/c1-19-7-5-14-28(2,18-19)27(34)30-23-12-11-20(17-22(23)29)26(33)32-16-13-21-8-6-15-31(21)24-9-3-4-10-25(24)32/h3-12,15,17-18H,13-14,16H2,1-2H3,(H,30,34)