[3-[9-(4-chlorophenyl)-5-ethanoyl-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate

Systemtic Name: [3-[9-(4-chlorophenyl)-5-ethanoyl-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate Openeye Name: [3-[5-acetyl-9-(4-chlorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate CAS Name: acetic acid [3-[5-acetyl-9-(4-chlorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] ester IUPAC Name: [3-[5-acetyl-9-(4-chlorophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate Traditional Name: acetic acid [3-[5-acetyl-9-(4-chlorophenyl)-7-keto-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] ester Formula: C29H25ClN2O4 MolecularWeight: 500.9728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)OC(=O)C

Isomeric SMILES

CC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)OC(=O)C

InChI

InChI=1S/C29H25ClN2O4/c1-17(33)32-26-9-4-3-8-24(26)31-25-15-21(19-10-12-22(30)13-11-19)16-27(35)28(25)29(32)20-6-5-7-23(14-20)36-18(2)34/h3-14,21,29,31H,15-16H2,1-2H3