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

Systemtic Name: ethyl 5-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H18IN5O3 MolecularWeight: 431.22889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18IN5O3/c1-4-23-14(22)10-7-16-19(3)13(10)18-12(21)5-6-20-9(2)11(15)8-17-20/h7-8H,4-6H2,1-3H3,(H,18,21)