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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C

InChI

InChI=1S/C16H20N4O3/c1-3-4-8-18-15(21)11-23-16(22)13-10-19-20(12(13)2)14-7-5-6-9-17-14/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,21)