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

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-piperidin-1-yl-phenyl)-4-oxidanylidene-7-piperidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[2-fluoro-4-(1-piperidyl)phenyl]-4-oxo-7-(1-piperidyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-fluoro-4-(1-piperidinyl)phenyl]-4-oxo-7-(1-piperidinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-piperidin-1-ylphenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoro-4-piperidino-phenyl)-4-keto-7-piperidino-quinoline-3-carboxylic acid Formula: C26H27F2N3O3 MolecularWeight: 467.507686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCCCC5)F)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCCCC5)F)C(=O)O)F

InChI

InChI=1S/C26H27F2N3O3/c27-20-13-17(29-9-3-1-4-10-29)7-8-22(20)31-16-19(26(33)34)25(32)18-14-21(28)24(15-23(18)31)30-11-5-2-6-12-30/h7-8,13-16H,1-6,9-12H2,(H,33,34)