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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N4O/c1-3-4-8-19(29)28-11-9-27(10-12-28)18-13-15(2)25-20(26-18)16-6-5-7-17(14-16)21(22,23)24/h5-7,13-14H,3-4,8-12H2,1-2H3