(2-cyanophenyl)methyl 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-cyanobenzyl) ester Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC=CC=C3C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC=CC=C3C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C26H21N3O2/c1-18-12-13-23(19(2)14-18)25-24(16-29(28-25)22-10-4-3-5-11-22)26(30)31-17-21-9-7-6-8-20(21)15-27/h3-14,16H,17H2,1-2H3