1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2-phenylpropyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C22H22ClFN2O2 MolecularWeight: 400.873683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22ClFN2O2/c1-3-7-20-21(22(27)28)19(12-14(2)15-8-5-4-6-9-15)25-26(20)16-10-11-18(24)17(23)13-16/h4-6,8-11,13-14H,3,7,12H2,1-2H3,(H,27,28)