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

Systemtic Name: 3-(3-cyanophenyl)-1-(4-methylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-5-propyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(3-cyanophenyl)-1-(4-methylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-cyanophenyl)-1-(4-methylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-propyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-3-5-18-19(21(25)26)20(16-7-4-6-15(12-16)13-22)23-24(18)17-10-8-14(2)9-11-17/h4,6-12H,3,5H2,1-2H3,(H,25,26)