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

Systemtic Name: 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-5-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-5-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[4-(1-benzimidazolyl)phenyl]methyl]-5-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[4-(benzimidazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[4-(benzimidazol-1-yl)benzyl]-5-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H16FN3O3 MolecularWeight: 413.400543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5F)C(=O)O

InChI

InChI=1S/C24H16FN3O3/c25-18-4-3-7-21-22(18)23(29)17(24(30)31)13-27(21)12-15-8-10-16(11-9-15)28-14-26-19-5-1-2-6-20(19)28/h1-11,13-14H,12H2,(H,30,31)