ethyl 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-5-carboxylate CAS Name: 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-5-carboxylate Traditional Name: 4-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21F3N4O2 MolecularWeight: 394.39085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

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