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

Systemtic Name: 1-(3-bromophenyl)-5-phenyl-3-pyridin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-phenyl-3-(4-pyridyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-phenyl-3-pyridin-4-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5-phenyl-3-(4-pyridyl)pyrazole-4-carboxylic acid Formula: C21H14BrN3O2 MolecularWeight: 420.25876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O2/c22-16-7-4-8-17(13-16)25-20(15-5-2-1-3-6-15)18(21(26)27)19(24-25)14-9-11-23-12-10-14/h1-13H,(H,26,27)