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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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