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

Systemtic Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C24H19BrN2O2 MolecularWeight: 447.32386

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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)Br)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)Br)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H19BrN2O2/c1-15-8-13-20(14-16(15)2)27-23(18-6-4-3-5-7-18)21(24(28)29)22(26-27)17-9-11-19(25)12-10-17/h3-14H,1-2H3,(H,28,29)