(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C18H19F3N4O4 MolecularWeight: 412.36307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC(C)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC(C)C(=O)N3CCOCC3

InChI

InChI=1S/C18H19F3N4O4/c1-11-14(17(27)29-12(2)16(26)24-5-7-28-8-6-24)10-23-25(11)15-4-3-13(9-22-15)18(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3