[4-(4-cyanophenyl)phenyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C29H19N3O2 MolecularWeight: 441.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H19N3O2/c30-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)34-29(33)27-20-32(25-9-5-2-6-10-25)31-28(27)24-7-3-1-4-8-24/h1-18,20H