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

Systemtic Name: ethyl 4-[5-azanyl-1-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]carbonyl-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[5-amino-1-(4-chlorophenyl)-4-cyano-pyrazole-3-carbonyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-[[5-amino-1-(4-chlorophenyl)-4-cyano-3-pyrazolyl]-oxomethyl]-5-methyl-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carbonyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 4-[5-amino-1-(4-chlorophenyl)-4-cyano-pyrazole-3-carbonyl]-5-methyl-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C25H21ClN6O3 MolecularWeight: 488.92564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN6O3/c1-4-35-25(34)22-20(15(3)31(30-22)17-9-5-14(2)6-10-17)23(33)21-19(13-27)24(28)32(29-21)18-11-7-16(26)8-12-18/h5-12H,4,28H2,1-3H3