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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O/c17-10-13-2-4-14(5-3-13)11-19-9-7-16(15(19)20)6-1-8-18-12-16/h2-5,18H,1,6-9,11-12H2