5-(3-methoxyphenyl)-2-oxidanylidene-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-8-carbonitrile

Systemtic Name: 5-(3-methoxyphenyl)-2-oxidanylidene-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-8-carbonitrile Openeye Name: 5-(3-methoxyphenyl)-2-oxo-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-8-carbonitrile CAS Name: 5-(3-methoxyphenyl)-2-oxo-8-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]carbonitrile IUPAC Name: 5-(3-methoxyphenyl)-2-oxospiro[1H-1,4-benzodiazepine-3,4'-piperidine]-8-carbonitrile Traditional Name: 2-keto-5-(3-methoxyphenyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-8-carbonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3(CCNCC3)C(=O)NC4=C2C=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3(CCNCC3)C(=O)NC4=C2C=CC(=C4)C#N

InChI

InChI=1S/C21H20N4O2/c1-27-16-4-2-3-15(12-16)19-17-6-5-14(13-22)11-18(17)24-20(26)21(25-19)7-9-23-10-8-21/h2-6,11-12,23H,7-10H2,1H3,(H,24,26)