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

Systemtic Name: 1-(3-bromophenyl)-3-(3-cyanophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(3-cyanophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(3-cyanophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(3-cyanophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(3-cyanophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H16BrN3O2 MolecularWeight: 410.26394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C20H16BrN3O2/c1-2-5-17-18(20(25)26)19(14-7-3-6-13(10-14)12-22)23-24(17)16-9-4-8-15(21)11-16/h3-4,6-11H,2,5H2,1H3,(H,25,26)