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

Systemtic Name: ethyl 4-[1-(4-chlorophenyl)-5-phenyl-4-(phenylcarbonyl)pyrazol-3-yl]carbonyl-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[4-benzoyl-1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carbonyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-[[4-benzoyl-1-(4-chlorophenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-5-methyl-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-benzoyl-1-(4-chlorophenyl)-5-phenylpyrazole-3-carbonyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 4-[4-benzoyl-1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carbonyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C37H29ClN4O4 MolecularWeight: 629.10356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C(=O)C2=NN(C(=C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C)C6=CC=C(C=C6)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C(=O)C2=NN(C(=C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C)C6=CC=C(C=C6)C

InChI

InChI=1S/C37H29ClN4O4/c1-4-46-37(45)33-30(24(3)41(40-33)28-19-15-23(2)16-20-28)36(44)32-31(35(43)26-13-9-6-10-14-26)34(25-11-7-5-8-12-25)42(39-32)29-21-17-27(38)18-22-29/h5-22H,4H2,1-3H3