3-(4-bromophenyl)-1-(4-methylphenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)-1-(4-methylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)-5-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(4-bromophenyl)-1-(4-methylphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-bromophenyl)-1-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(4-bromophenyl)-5-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C23H17BrN2O2 MolecularWeight: 433.29728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O2/c1-15-7-13-19(14-8-15)26-22(17-5-3-2-4-6-17)20(23(27)28)21(25-26)16-9-11-18(24)12-10-16/h2-14H,1H3,(H,27,28)