N-(2-cyanoethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: N-(2-cyanoethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]isonipecotamide Formula: C21H22F3N5O MolecularWeight: 417.42749

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCC#N)CC2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)N(CCC#N)CC2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O/c22-21(23,24)18-7-11-26-20(27-18)28-13-8-17(9-14-28)19(30)29(12-4-10-25)15-16-5-2-1-3-6-16/h1-3,5-7,11,17H,4,8-9,12-15H2