3-[(11-oxidanylidene-4,10-diazaspiro[5.5]undecan-10-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(11-oxidanylidene-4,10-diazaspiro[5.5]undecan-10-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(11-oxo-4,10-diazaspiro[5.5]undecan-10-yl)methyl]benzonitrile CAS Name: 3-[(11-oxo-4,10-diazaspiro[5.5]undecan-10-yl)methyl]benzonitrile IUPAC Name: 3-[(11-oxo-4,10-diazaspiro[5.5]undecan-10-yl)methyl]benzonitrile Traditional Name: 3-[(11-keto-4,10-diazaspiro[5.5]undecan-10-yl)methyl]benzonitrile Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCCN(C2=O)CC3=CC=CC(=C3)C#N)CNC1

Isomeric SMILES

C1CC2(CCCN(C2=O)CC3=CC=CC(=C3)C#N)CNC1

InChI

InChI=1S/C17H21N3O/c18-11-14-4-1-5-15(10-14)12-20-9-3-7-17(16(20)21)6-2-8-19-13-17/h1,4-5,10,19H,2-3,6-9,12-13H2