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

Systemtic Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H17N3O3/c1-30-20-13-11-19(12-14-20)27-23(18-5-3-2-4-6-18)21(24(28)29)22(26-27)17-9-7-16(15-25)8-10-17/h2-14H,1H3,(H,28,29)