(phenylmethyl) 7-chloranyl-2-oxidanylidene-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate

Systemtic Name: (phenylmethyl) 7-chloranyl-2-oxidanylidene-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate Openeye Name: benzyl 7-chloro-2-oxo-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate CAS Name: 7-chloro-2-oxo-5-phenyl-1'-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-2-oxo-5-phenylspiro[1H-1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate Traditional Name: 7-chloro-2-keto-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylic acid benzyl ester Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O3/c28-21-11-12-23-22(17-21)24(20-9-5-2-6-10-20)30-27(25(32)29-23)13-15-31(16-14-27)26(33)34-18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,29,32)