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

Systemtic Name: 1-(3-bromophenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(4-phenylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-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(=CC=C2)Br)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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