[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C(C)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C(C)C

InChI

InChI=1S/C18H24N4O3/c1-5-13(4)21-16(23)11-25-18(24)14-10-20-22(17(14)12(2)3)15-8-6-7-9-19-15/h6-10,12-13H,5,11H2,1-4H3,(H,21,23)