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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H20ClFN2O2 MolecularWeight: 398.857803

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H20ClFN2O2/c1-2-3-4-8-11-19-20(22(27)28)21(15-9-6-5-7-10-15)26(25-19)16-12-13-18(24)17(23)14-16/h3-7,9-10,12-14H,2,8,11H2,1H3,(H,27,28)