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

Systemtic Name: 3-methyl-1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]butan-1-one Formula: C21H25F3N4O MolecularWeight: 406.44461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C21H25F3N4O/c1-14(2)12-19(29)28-10-8-27(9-11-28)18-13-15(3)25-20(26-18)16-4-6-17(7-5-16)21(22,23)24/h4-7,13-14H,8-12H2,1-3H3