1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-methylbenzyl)isonipecotamide Formula: C20H21ClF3N3O MolecularWeight: 411.84845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H21ClF3N3O/c1-13-2-4-14(5-3-13)11-26-19(28)15-6-8-27(9-7-15)18-17(21)10-16(12-25-18)20(22,23)24/h2-5,10,12,15H,6-9,11H2,1H3,(H,26,28)