methyl 4-(5-cyclopropylcarbonyl-7-oxidanylidene-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate

Systemtic Name: methyl 4-(5-cyclopropylcarbonyl-7-oxidanylidene-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl)benzoate Openeye Name: methyl 4-[5-(cyclopropanecarbonyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate CAS Name: 4-[5-[cyclopropyl(oxo)methyl]-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(cyclopropanecarbonyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoate Traditional Name: 4-[5-(cyclopropanecarbonyl)-7-keto-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzoic acid methyl ester Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C6CC6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C6CC6

InChI

InChI=1S/C31H28N2O4/c1-37-31(36)22-15-11-20(12-16-22)29-28-25(17-23(18-27(28)34)19-7-3-2-4-8-19)32-24-9-5-6-10-26(24)33(29)30(35)21-13-14-21/h2-12,15-16,21,23,29,32H,13-14,17-18H2,1H3