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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C17H19F3N4O3 MolecularWeight: 384.35297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C17H19F3N4O3/c1-3-4-7-21-15(25)10-27-16(26)13-9-23-24(11(13)2)14-6-5-12(8-22-14)17(18,19)20/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,25)