1-[[4-(6-azanylpyridin-3-yl)phenyl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[4-(6-azanylpyridin-3-yl)phenyl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[4-(6-amino-3-pyridyl)phenyl]methyl]-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[4-(6-amino-3-pyridinyl)phenyl]methyl]-8-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[4-(6-aminopyridin-3-yl)phenyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[4-(6-amino-3-pyridyl)benzyl]-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H16FN3O3 MolecularWeight: 389.379143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)C4=CN=C(C=C4)N

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)C4=CN=C(C=C4)N

InChI

InChI=1S/C22H16FN3O3/c23-18-3-1-2-16-20(18)26(12-17(21(16)27)22(28)29)11-13-4-6-14(7-5-13)15-8-9-19(24)25-10-15/h1-10,12H,11H2,(H2,24,25)(H,28,29)