7-chloranyl-5-(4-methylphenyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one

Systemtic Name: 7-chloranyl-5-(4-methylphenyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 7-chloro-5-(p-tolyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 7-chloro-5-(4-methylphenyl)-2-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 7-chloro-5-(4-methylphenyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 7-chloro-5-(p-tolyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3(CCNCC3)C(=O)NC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3(CCNCC3)C(=O)NC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O/c1-13-2-4-14(5-3-13)18-16-12-15(21)6-7-17(16)23-19(25)20(24-18)8-10-22-11-9-20/h2-7,12,22H,8-11H2,1H3,(H,23,25)