1-[(2,4-dimethylphenyl)methyl]-2-oxidanylidene-6-piperidin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxidanylidene-6-piperidin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-(4-piperidyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-(4-piperidinyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-piperidin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 1-(2,4-dimethylbenzyl)-2-keto-6-(4-piperidyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H22F3N3O MolecularWeight: 389.41409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3CCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3CCNCC3)C

InChI

InChI=1S/C21H22F3N3O/c1-13-3-4-16(14(2)9-13)12-27-19(15-5-7-26-8-6-15)10-18(21(22,23)24)17(11-25)20(27)28/h3-4,9-10,15,26H,5-8,12H2,1-2H3