ethyl 4-[1-(4-chlorophenyl)-4-cyano-5-phenyl-pyrazol-3-yl]carbonyl-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[1-(4-chlorophenyl)-4-cyano-5-phenyl-pyrazol-3-yl]carbonyl-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[1-(4-chlorophenyl)-4-cyano-5-phenyl-pyrazole-3-carbonyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-[[1-(4-chlorophenyl)-4-cyano-5-phenyl-3-pyrazolyl]-oxomethyl]-5-methyl-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-chlorophenyl)-4-cyano-5-phenylpyrazole-3-carbonyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 4-[1-(4-chlorophenyl)-4-cyano-5-phenyl-pyrazole-3-carbonyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C31H24ClN5O3 MolecularWeight: 550.00696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C(=O)C2=NN(C(=C2C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C(=O)C2=NN(C(=C2C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H24ClN5O3/c1-4-40-31(39)28-26(20(3)36(35-28)23-14-10-19(2)11-15-23)30(38)27-25(18-33)29(21-8-6-5-7-9-21)37(34-27)24-16-12-22(32)13-17-24/h5-17H,4H2,1-3H3