(phenylmethyl) (5S)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) (5S)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl (5S)-7-bromo-5-(2-chlorophenyl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: (5S)-7-bromo-5-(2-chlorophenyl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5S)-7-bromo-5-(2-chlorophenyl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: (5S)-7-bromo-5-(2-chlorophenyl)-2-keto-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C23H18BrClN2O3 MolecularWeight: 485.75762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)[C@H](N1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H18BrClN2O3/c24-16-10-11-20-18(12-16)22(17-8-4-5-9-19(17)25)27(13-21(28)26-20)23(29)30-14-15-6-2-1-3-7-15/h1-12,22H,13-14H2,(H,26,28)/t22-/m1/s1