ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H18F4N4O2 MolecularWeight: 398.354733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F4N4O2/c1-2-28-17(27)26-9-7-25(8-10-26)16-23-14(11-15(24-16)18(20,21)22)12-3-5-13(19)6-4-12/h3-6,11H,2,7-10H2,1H3