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

Systemtic Name: 5-hexyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 5-hexyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 5-hexyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 5-hexyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 5-hexyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidin-4-one Formula: C22H29F3N4O MolecularWeight: 422.48707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C22H29F3N4O/c1-3-4-5-6-10-19-16(2)26-21(27-20(19)30)29-13-11-28(12-14-29)18-9-7-8-17(15-18)22(23,24)25/h7-9,15H,3-6,10-14H2,1-2H3,(H,26,27,30)