1-(3-chloranyl-4-fluoranyl-phenyl)-3-hex-3-enyl-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-hex-3-enyl-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-hex-3-enyl-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-hex-3-enyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C19H22ClFN2O2 MolecularWeight: 364.841583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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