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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC(=CC=C3)C(F)(F)F

InChI

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