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

Systemtic Name: 1-(4-bromophenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-(4-phenylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C25H21BrN2O2 MolecularWeight: 461.35044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H21BrN2O2/c1-2-6-22-23(25(29)30)24(27-28(22)21-15-13-20(26)14-16-21)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h3-5,7-16H,2,6H2,1H3,(H,29,30)