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

Systemtic Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]heptan-1-one Formula: C23H29F3N4O MolecularWeight: 434.49777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29F3N4O/c1-3-4-5-6-10-21(31)30-13-11-29(12-14-30)20-15-17(2)27-22(28-20)18-8-7-9-19(16-18)23(24,25)26/h7-9,15-16H,3-6,10-14H2,1-2H3