2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]ethanenitrile Openeye Name: 2-[4-(2,4-dimethylbenzoyl)-1-piperidyl]acetonitrile CAS Name: 2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]acetonitrile IUPAC Name: 2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetonitrile Traditional Name: 2-[4-(2,4-dimethylbenzoyl)piperidino]acetonitrile Formula: C16H20N2O MolecularWeight: 256.3428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC#N)C

InChI

InChI=1S/C16H20N2O/c1-12-3-4-15(13(2)11-12)16(19)14-5-8-18(9-6-14)10-7-17/h3-4,11,14H,5-6,8-10H2,1-2H3