1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-4-oxidanylidene-7-piperidin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-4-oxidanylidene-7-piperidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-oxo-7-(1-piperidyl)quinoline-3-carboxylic acid CAS Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-(1-piperidinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-keto-7-piperidino-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)N)F)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)N)F)F

InChI

InChI=1S/C21H19F2N3O3/c22-15-8-12(24)4-5-17(15)26-11-14(21(28)29)20(27)13-9-16(23)19(10-18(13)26)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7,24H2,(H,28,29)