(phenylmethyl) 7-bromanyl-2-oxidanylidene-5-phenyl-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 7-bromanyl-2-oxidanylidene-5-phenyl-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl 7-bromo-2-oxo-5-phenyl-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 7-bromo-2-oxo-5-phenyl-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-bromo-2-oxo-5-phenyl-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-bromo-2-keto-5-phenyl-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2C=CC(=CC2=C(N1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

C1C(=O)NC2C=CC(=CC2=C(N1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C23H19BrN2O3/c24-18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)26(14-21(27)25-20)23(28)29-15-16-7-3-1-4-8-16/h1-13,20H,14-15H2,(H,25,27)