2-(2,4-dichlorophenyl)-3-(4-pentylphenyl)-3,4-dihydropyrazole-5-carboxylic acid

Systemtic Name: 2-(2,4-dichlorophenyl)-3-(4-pentylphenyl)-3,4-dihydropyrazole-5-carboxylic acid Openeye Name: 2-(2,4-dichlorophenyl)-3-(4-pentylphenyl)-3,4-dihydropyrazole-5-carboxylic acid CAS Name: 2-(2,4-dichlorophenyl)-3-(4-pentylphenyl)-3,4-dihydropyrazole-5-carboxylic acid IUPAC Name: 2-(2,4-dichlorophenyl)-3-(4-pentylphenyl)-3,4-dihydropyrazole-5-carboxylic acid Traditional Name: 5-(4-amylphenyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxylic acid Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H22Cl2N2O2/c1-2-3-4-5-14-6-8-15(9-7-14)20-13-18(21(26)27)24-25(20)19-11-10-16(22)12-17(19)23/h6-12,20H,2-5,13H2,1H3,(H,26,27)