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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C17H22N4O3/c1-12(2)7-9-19-16(22)11-24-17(23)14-10-20-21(13(14)3)15-6-4-5-8-18-15/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,19,22)