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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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