7,8-dimethyl-2-oxidanylidene-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-9-carbonitrile

Systemtic Name: 7,8-dimethyl-2-oxidanylidene-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-9-carbonitrile Openeye Name: 7,8-dimethyl-2-oxo-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-9-carbonitrile CAS Name: 7,8-dimethyl-2-oxo-5-phenyl-9-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]carbonitrile IUPAC Name: 7,8-dimethyl-2-oxo-5-phenylspiro[1H-1,4-benzodiazepine-3,4'-piperidine]-9-carbonitrile Traditional Name: 2-keto-7,8-dimethyl-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-9-carbonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=NC3(CCNCC3)C(=O)N2)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=NC3(CCNCC3)C(=O)N2)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C22H22N4O/c1-14-12-17-19(16-6-4-3-5-7-16)26-22(8-10-24-11-9-22)21(27)25-20(17)18(13-23)15(14)2/h3-7,12,24H,8-11H2,1-2H3,(H,25,27)