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

Systemtic Name: (phenylmethyl) 7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-spiro[1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate Openeye Name: benzyl 7-chloro-1-methyl-2-oxo-5-phenyl-spiro[1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate CAS Name: 7-chloro-1-methyl-2-oxo-5-phenyl-1'-spiro[1,4-benzodiazepine-3,4'-piperidine]carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-1-methyl-2-oxo-5-phenylspiro[1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate Traditional Name: 7-chloro-2-keto-1-methyl-5-phenyl-spiro[1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylic acid benzyl ester Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC3(C1=O)CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC3(C1=O)CCN(CC3)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O3/c1-31-24-13-12-22(29)18-23(24)25(21-10-6-3-7-11-21)30-28(26(31)33)14-16-32(17-15-28)27(34)35-19-20-8-4-2-5-9-20/h2-13,18H,14-17,19H2,1H3