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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-phenethyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-phenethyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C24H18ClFN2O2 MolecularWeight: 420.863323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H18ClFN2O2/c25-19-15-18(12-13-20(19)26)28-23(17-9-5-2-6-10-17)22(24(29)30)21(27-28)14-11-16-7-3-1-4-8-16/h1-10,12-13,15H,11,14H2,(H,29,30)