5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

Systemtic Name: 5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one Openeye Name: 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one CAS Name: 5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-piperidinone IUPAC Name: 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one Traditional Name: 5-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)benzyl]-2-piperidone Formula: C22H24F3N5O2 MolecularWeight: 447.45347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CC(=O)N(CC1C(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H24F3N5O2/c23-22(24,25)18-4-1-3-16(13-18)14-30-15-17(5-6-19(30)31)20(32)28-9-11-29(12-10-28)21-26-7-2-8-27-21/h1-4,7-8,13,17H,5-6,9-12,14-15H2