2-methyl-5-nitro-6-(4-phenylpiperidin-1-yl)-3-[2,2,2-tris(fluoranyl)ethyl]pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(4-phenylpiperidin-1-yl)-3-[2,2,2-tris(fluoranyl)ethyl]pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-6-(4-phenyl-1-piperidyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one CAS Name: 2-methyl-5-nitro-6-(4-phenyl-1-piperidinyl)-3-(2,2,2-trifluoroethyl)-4-pyrimidinone IUPAC Name: 2-methyl-5-nitro-6-(4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-6-(4-phenylpiperidino)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one Formula: C18H19F3N4O3 MolecularWeight: 396.36367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC(F)(F)F)[N+](=O)[O-])N2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC(F)(F)F)[N+](=O)[O-])N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H19F3N4O3/c1-12-22-16(15(25(27)28)17(26)24(12)11-18(19,20)21)23-9-7-14(8-10-23)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3