ethyl 6-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxylate CAS Name: 6-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19F3N4O3 MolecularWeight: 396.36367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O3/c1-2-28-16(27)14-11-22-17(23-15(14)26)25-8-6-24(7-9-25)13-5-3-4-12(10-13)18(19,20)21/h3-5,10-11H,2,6-9H2,1H3,(H,22,23,26)