(4-cyanophenyl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (4-cyanobenzyl) ester Formula: C25H19N3O2 MolecularWeight: 393.43726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O2/c1-18-7-13-21(14-8-18)24-23(16-28(27-24)22-5-3-2-4-6-22)25(29)30-17-20-11-9-19(15-26)10-12-20/h2-14,16H,17H2,1H3