methyl 4-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C14H18BrN5O3 MolecularWeight: 384.22842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C(C)N2C(=C(C=N2)Br)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C(C)N2C(=C(C=N2)Br)C

InChI

InChI=1S/C14H18BrN5O3/c1-5-19-7-11(12(18-19)14(22)23-4)17-13(21)9(3)20-8(2)10(15)6-16-20/h6-7,9H,5H2,1-4H3,(H,17,21)