methyl 4-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CCN2C=C(C=N2)Br

InChI

InChI=1S/C13H16BrN5O3/c1-3-18-8-10(12(17-18)13(21)22-2)16-11(20)4-5-19-7-9(14)6-15-19/h6-8H,3-5H2,1-2H3,(H,16,20)