5-fluoranyl-4-oxidanylidene-1-[(4-pyrrolo[3,2-b]pyridin-1-ylphenyl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-1-[(4-pyrrolo[3,2-b]pyridin-1-ylphenyl)methyl]quinoline-3-carboxylic acid Openeye Name: 5-fluoro-4-oxo-1-[(4-pyrrolo[3,2-b]pyridin-1-ylphenyl)methyl]quinoline-3-carboxylic acid CAS Name: 5-fluoro-4-oxo-1-[[4-(1-pyrrolo[3,2-b]pyridinyl)phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 5-fluoro-4-oxo-1-[(4-pyrrolo[3,2-b]pyridin-1-ylphenyl)methyl]quinoline-3-carboxylic acid Traditional Name: 5-fluoro-4-keto-1-(4-pyrrolo[3,2-b]pyridin-1-ylbenzyl)quinoline-3-carboxylic acid Formula: C24H16FN3O3 MolecularWeight: 413.400543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)C(=O)C(=CN2CC3=CC=C(C=C3)N4C=CC5=C4C=CC=N5)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)F)C(=O)C(=CN2CC3=CC=C(C=C3)N4C=CC5=C4C=CC=N5)C(=O)O

InChI

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