ethyl 4-[2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-methyl-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21F3N4O2 MolecularWeight: 394.39085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N4O2/c1-3-28-18(27)26-9-7-25(8-10-26)17-12-16(23-13(2)24-17)14-5-4-6-15(11-14)19(20,21)22/h4-6,11-12H,3,7-10H2,1-2H3