ethyl 5-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C=C(C=N2)Br

InChI

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