ethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H22ClN5O3 MolecularWeight: 367.83058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C16H22ClN5O3/c1-6-12(22-10(4)13(17)9(3)20-22)15(23)19-14-11(8-18-21(14)5)16(24)25-7-2/h8,12H,6-7H2,1-5H3,(H,19,23)