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

Systemtic Name: ethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C21H24ClN5O3/c1-5-17(26-14(4)18(22)13(3)25-26)20(28)24-19-16(21(29)30-6-2)12-23-27(19)15-10-8-7-9-11-15/h7-12,17H,5-6H2,1-4H3,(H,24,28)