3-(6-azanylcyclohexa-1,3-dien-1-yl)-N-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-2,5-dihydro-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 3-(6-azanylcyclohexa-1,3-dien-1-yl)-N-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-2,5-dihydro-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-(6-aminocyclohexa-1,3-dien-1-yl)-N-[1-[2-oxo-2-(p-tolyl)ethyl]-5-phenyl-2,5-dihydro-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-(6-amino-1-cyclohexa-1,3-dienyl)-N-[1-[2-(4-methylphenyl)-2-oxoethyl]-5-phenyl-2,5-dihydro-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-(6-aminocyclohexa-1,3-dien-1-yl)-N-[1-[2-(4-methylphenyl)-2-oxoethyl]-5-phenyl-2,5-dihydro-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-(6-aminocyclohexa-1,3-dien-1-yl)-N-[1-[2-keto-2-(p-tolyl)ethyl]-5-phenyl-2,5-dihydro-1,4-benzodiazepin-3-yl]propionamide Formula: C33H34N4O2 MolecularWeight: 518.64866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2CC(=NC(C3=CC=CC=C32)C4=CC=CC=C4)NC(=O)CCC5=CC=CCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2CC(=NC(C3=CC=CC=C32)C4=CC=CC=C4)NC(=O)CCC5=CC=CCC5N

InChI

InChI=1S/C33H34N4O2/c1-23-15-17-25(18-16-23)30(38)21-37-22-31(35-32(39)20-19-24-9-5-7-13-28(24)34)36-33(26-10-3-2-4-11-26)27-12-6-8-14-29(27)37/h2-12,14-18,28,33H,13,19-22,34H2,1H3,(H,35,36,39)