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

Systemtic Name: 8-azanyl-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperidin-4-yl-quinoline-3-carboxylic acid Openeye Name: 8-amino-6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-piperidyl)quinoline-3-carboxylic acid CAS Name: 8-amino-6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-piperidinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-amino-6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperidin-4-ylquinoline-3-carboxylic acid Traditional Name: 8-amino-6-fluoro-1-(4-fluorophenyl)-4-keto-7-(4-piperidyl)quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C=C3C(=C2N)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1CNCCC1C2=C(C=C3C(=C2N)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C21H19F2N3O3/c22-12-1-3-13(4-2-12)26-10-15(21(28)29)20(27)14-9-16(23)17(18(24)19(14)26)11-5-7-25-8-6-11/h1-4,9-11,25H,5-8,24H2,(H,28,29)