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

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-1'-(phenylmethyl)spiro[1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 1'-benzyl-7-chloro-1-methyl-5-phenyl-spiro[1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 7-chloro-1-methyl-5-phenyl-1'-(phenylmethyl)-2-spiro[1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 1'-benzyl-7-chloro-1-methyl-5-phenylspiro[1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 1'-benzyl-7-chloro-1-methyl-5-phenyl-spiro[1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC3(C1=O)CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC3(C1=O)CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26ClN3O/c1-30-24-13-12-22(28)18-23(24)25(21-10-6-3-7-11-21)29-27(26(30)32)14-16-31(17-15-27)19-20-8-4-2-5-9-20/h2-13,18H,14-17,19H2,1H3