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

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidin-4-one Formula: C21H27F3N4O MolecularWeight: 408.46049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CCC(C)C

InChI

InChI=1S/C21H27F3N4O/c1-14(2)7-8-18-15(3)25-20(26-19(18)29)28-11-9-27(10-12-28)17-6-4-5-16(13-17)21(22,23)24/h4-6,13-14H,7-12H2,1-3H3,(H,25,26,29)