N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1-(2-pyrimidyl)isonipecotamide Formula: C20H19F3N6O MolecularWeight: 416.39967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)C4=NC=CC=N4

InChI

InChI=1S/C20H19F3N6O/c21-20(22,23)15-3-4-17(29-10-2-9-26-29)16(13-15)27-18(30)14-5-11-28(12-6-14)19-24-7-1-8-25-19/h1-4,7-10,13-14H,5-6,11-12H2,(H,27,30)