phenyl 7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate

Systemtic Name: phenyl 7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Openeye Name: phenyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate CAS Name: 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid phenyl ester IUPAC Name: phenyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Traditional Name: 7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid phenyl ester Formula: C22H15ClN2O3 MolecularWeight: 390.8191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O3/c23-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)25-20(21(26)24-18)22(27)28-16-9-5-2-6-10-16/h1-13,20H,(H,24,26)