ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-butyl-4-[4-(2-cyanophenyl)benzyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C25H27N3O2/c1-4-6-11-23-22(24(28(3)27-23)25(29)30-5-2)16-18-12-14-19(15-13-18)21-10-8-7-9-20(21)17-26/h7-10,12-15H,4-6,11,16H2,1-3H3