5-fluoranyl-4-oxidanylidene-1-[[4-(4-phenylimidazol-1-yl)phenyl]methyl]quinoline-3-carboxylic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-1-[[4-(4-phenylimidazol-1-yl)phenyl]methyl]quinoline-3-carboxylic acid Openeye Name: 5-fluoro-4-oxo-1-[[4-(4-phenylimidazol-1-yl)phenyl]methyl]quinoline-3-carboxylic acid CAS Name: 5-fluoro-4-oxo-1-[[4-(4-phenyl-1-imidazolyl)phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 5-fluoro-4-oxo-1-[[4-(4-phenylimidazol-1-yl)phenyl]methyl]quinoline-3-carboxylic acid Traditional Name: 5-fluoro-4-keto-1-[4-(4-phenylimidazol-1-yl)benzyl]quinoline-3-carboxylic acid Formula: C26H18FN3O3 MolecularWeight: 439.437823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C=N2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C=N2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5F)C(=O)O

InChI

InChI=1S/C26H18FN3O3/c27-21-7-4-8-23-24(21)25(31)20(26(32)33)14-29(23)13-17-9-11-19(12-10-17)30-15-22(28-16-30)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,32,33)