1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]octan-1-one Formula: C24H31F3N4O MolecularWeight: 448.52435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H31F3N4O/c1-3-4-5-6-7-11-22(32)31-14-12-30(13-15-31)21-16-18(2)28-23(29-21)19-9-8-10-20(17-19)24(25,26)27/h8-10,16-17H,3-7,11-15H2,1-2H3