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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-phenyl-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-phenyl-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenyl-3-propyl-pyrazole-4-carboxylic acid Formula: C19H16ClFN2O2 MolecularWeight: 358.793943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClFN2O2/c1-2-6-16-17(19(24)25)18(12-7-4-3-5-8-12)23(22-16)13-9-10-15(21)14(20)11-13/h3-5,7-11H,2,6H2,1H3,(H,24,25)