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

Systemtic Name: 1-[5-[[2-chloranyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one Openeye Name: 1-[5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one CAS Name: 1-[5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-4-pyrimidinyl]-3-piperidinone IUPAC Name: 1-[5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-3-one Traditional Name: 1-[5-[2-chloro-4-(trifluoromethyl)benzyl]pyrimidin-4-yl]-3-piperidone Formula: C17H15ClF3N3O MolecularWeight: 369.76871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CN(C1)C2=NC=NC=C2CC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CC(=O)CN(C1)C2=NC=NC=C2CC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H15ClF3N3O/c18-15-7-13(17(19,20)21)4-3-11(15)6-12-8-22-10-23-16(12)24-5-1-2-14(25)9-24/h3-4,7-8,10H,1-2,5-6,9H2