3-[(4-oxidanylidene-3,9-diazaspiro[4.5]decan-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-oxidanylidene-3,9-diazaspiro[4.5]decan-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-oxo-3,9-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile CAS Name: 3-[(4-oxo-3,9-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile IUPAC Name: 3-[(4-oxo-3,9-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-keto-3,9-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile Formula: C16H19N3O MolecularWeight: 269.34156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O/c17-10-13-3-1-4-14(9-13)11-19-8-6-16(15(19)20)5-2-7-18-12-16/h1,3-4,9,18H,2,5-8,11-12H2