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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C(=C(C(=N2)C)Cl)C

InChI

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