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

Systemtic Name: 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O2/c1-4-5-18-19(21(26)27)20(14-7-9-16(22)17(23)11-14)24-25(18)15-8-6-12(2)13(3)10-15/h6-11H,4-5H2,1-3H3,(H,26,27)