1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-ethyl-3-phenethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid Formula: C20H18ClFN2O2 MolecularWeight: 372.820523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18ClFN2O2/c1-2-18-19(20(25)26)17(11-8-13-6-4-3-5-7-13)23-24(18)14-9-10-16(22)15(21)12-14/h3-7,9-10,12H,2,8,11H2,1H3,(H,25,26)