5-[3-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]amino]propyl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[3-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]amino]propyl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[3-keto-3-[4-(trifluoromethyl)anilino]propyl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)CCC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)CCC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3/c21-20(22,23)13-6-8-14(9-7-13)25-18(27)11-10-17-16(19(28)29)12-24-26(17)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,25,27)(H,28,29)