3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]propanenitrile Openeye Name: 3-[4-(2,4-dimethylbenzoyl)-1-piperidyl]propanenitrile CAS Name: 3-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]propanenitrile IUPAC Name: 3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanenitrile Traditional Name: 3-[4-(2,4-dimethylbenzoyl)piperidino]propionitrile Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O/c1-13-4-5-16(14(2)12-13)17(20)15-6-10-19(11-7-15)9-3-8-18/h4-5,12,15H,3,6-7,9-11H2,1-2H3