3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C25H19N3O2 MolecularWeight: 393.43726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H19N3O2/c1-16-8-13-21(14-17(16)2)28-24(20-6-4-3-5-7-20)22(25(29)30)23(27-28)19-11-9-18(15-26)10-12-19/h3-14H,1-2H3,(H,29,30)