2-oxidanylidene-3-phenyl-3-propyl-cyclohexane-1-carbonitrile

Systemtic Name: 2-oxidanylidene-3-phenyl-3-propyl-cyclohexane-1-carbonitrile Openeye Name: 2-oxo-3-phenyl-3-propyl-cyclohexanecarbonitrile CAS Name: 2-oxo-3-phenyl-3-propyl-1-cyclohexanecarbonitrile IUPAC Name: 2-oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile Traditional Name: 2-keto-3-phenyl-3-propyl-cyclohexanecarbonitrile Formula: C16H19NO MolecularWeight: 241.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC(C1=O)C#N)C2=CC=CC=C2

Isomeric SMILES

CCCC1(CCCC(C1=O)C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO/c1-2-10-16(14-8-4-3-5-9-14)11-6-7-13(12-17)15(16)18/h3-5,8-9,13H,2,6-7,10-11H2,1H3