1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2/c1-3-4-5-15-6-12-18(13-7-15)24-20(16-8-10-17(22)11-9-16)19(21(25)26)14(2)23-24/h6-13H,3-5H2,1-2H3,(H,25,26)