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

Systemtic Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]hexan-1-one Formula: C22H27F3N4O MolecularWeight: 420.47119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N4O/c1-3-4-5-9-20(30)29-12-10-28(11-13-29)19-14-16(2)26-21(27-19)17-7-6-8-18(15-17)22(23,24)25/h6-8,14-15H,3-5,9-13H2,1-2H3