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

Systemtic Name: ethyl 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21F3N4O3 MolecularWeight: 410.39025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N4O3/c1-3-29-18(27)26-9-7-25(8-10-26)17-23-15(12-16(24-17)19(20,21)22)13-5-4-6-14(11-13)28-2/h4-6,11-12H,3,7-10H2,1-2H3