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

Systemtic Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C23H14BrN3O2 MolecularWeight: 444.28016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC=C3)Br)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC=C3)Br)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C23H14BrN3O2/c24-18-7-4-8-19(13-18)27-22(17-5-2-1-3-6-17)20(23(28)29)21(26-27)16-11-9-15(14-25)10-12-16/h1-13H,(H,28,29)