4-(7-chloranyl-2-oxidanylidene-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-5-yl)benzenecarbonitrile

Systemtic Name: 4-(7-chloranyl-2-oxidanylidene-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-5-yl)benzenecarbonitrile Openeye Name: 4-(7-chloro-2-oxo-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-5-yl)benzonitrile CAS Name: 4-(7-chloro-2-oxo-5-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]yl)benzonitrile IUPAC Name: 4-(7-chloro-2-oxospiro[1H-1,4-benzodiazepine-3,4'-piperidine]-5-yl)benzonitrile Traditional Name: 4-(7-chloro-2-keto-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-5-yl)benzonitrile Formula: C20H17ClN4O MolecularWeight: 364.82818

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC12C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CNCCC12C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H17ClN4O/c21-15-5-6-17-16(11-15)18(14-3-1-13(12-22)2-4-14)25-20(19(26)24-17)7-9-23-10-8-20/h1-6,11,23H,7-10H2,(H,24,26)