[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: [2-(isopentylamino)-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 [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 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-(isoamylamino)-2-keto-ethyl] ester Formula: C18H21F3N4O3 MolecularWeight: 398.37955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C18H21F3N4O3/c1-11(2)6-7-22-16(26)10-28-17(27)14-9-24-25(12(14)3)15-5-4-13(8-23-15)18(19,20)21/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,22,26)