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

Systemtic Name: 1-(3-bromophenyl)-5-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-phenyl-3-pyridin-3-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5-phenyl-3-(3-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=CN=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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