4-[9-(3-chlorophenyl)-6-(4-methylphenyl)-7-oxidanylidene-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[9-(3-chlorophenyl)-6-(4-methylphenyl)-7-oxidanylidene-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[9-(3-chlorophenyl)-7-oxo-6-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[9-(3-chlorophenyl)-6-(4-methylphenyl)-7-oxo-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[9-(3-chlorophenyl)-6-(4-methylphenyl)-7-oxo-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[9-(3-chlorophenyl)-7-keto-6-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C30H27ClN2O4 MolecularWeight: 514.99938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)CCC(=O)O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)CCC(=O)O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H27ClN2O4/c1-18-9-11-19(12-10-18)30-29-24(16-21(17-26(29)34)20-5-4-6-22(31)15-20)32-23-7-2-3-8-25(23)33(30)27(35)13-14-28(36)37/h2-12,15-16,21,29-30,32H,13-14,17H2,1H3,(H,36,37)