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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(4-phenylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-3-(4-phenylphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2/c1-4-8-24-25(27(30)31)26(28-29(24)23-16-11-18(2)19(3)17-23)22-14-12-21(13-15-22)20-9-6-5-7-10-20/h5-7,9-17H,4,8H2,1-3H3,(H,30,31)