methyl 4-[2-(4-chloranylpyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[2-(4-chloranylpyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[2-(4-chloropyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-chloropyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[2-(4-chloropyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H16ClN5O3 MolecularWeight: 325.75084

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5O3/c1-4-18-7-10(11(17-18)13(21)22-3)16-12(20)8(2)19-6-9(14)5-15-19/h5-8H,4H2,1-3H3,(H,16,20)