1-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]heptan-1-one Formula: C25H33F3N4O MolecularWeight: 462.55093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H33F3N4O/c1-4-6-7-8-9-22(33)31-14-16-32(17-15-31)24-21(5-2)18(3)29-23(30-24)19-10-12-20(13-11-19)25(26,27)28/h10-13H,4-9,14-17H2,1-3H3