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

Systemtic Name: 7-chloranyl-5-[(E)-3-phenylprop-2-enyl]spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 7-chloro-5-[(E)-cinnamyl]spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 7-chloro-5-[(E)-3-phenylprop-2-enyl]-2-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 7-chloro-5-[(E)-3-phenylprop-2-enyl]spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 7-chloro-5-[(E)-cinnamyl]spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC12C(=O)N=C3C=CC(=CC3=C(N2)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CNCCC12C(=O)N=C3C=CC(=CC3=C(N2)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O/c23-17-9-10-19-18(15-17)20(8-4-7-16-5-2-1-3-6-16)26-22(21(27)25-19)11-13-24-14-12-22/h1-7,9-10,15,24,26H,8,11-14H2/b7-4+