1-(3-chloranyl-4-fluoranyl-phenyl)-3-hex-3-enyl-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-hex-3-enyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-propyl-pyrazole-4-carboxylic acid Formula: C19H22ClFN2O2 MolecularWeight: 364.841583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC=CCC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CCC=CCC)C(=O)O

InChI

InChI=1S/C19H22ClFN2O2/c1-3-5-6-7-9-16-18(19(24)25)17(8-4-2)23(22-16)13-10-11-15(21)14(20)12-13/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,24,25)