6-fluoranyl-1-[4-fluoranyl-3-(methylamino)phenyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[4-fluoranyl-3-(methylamino)phenyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)F

Isomeric SMILES

CNC1=C(C=CC(=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)F

InChI

InChI=1S/C21H20F2N4O3/c1-24-17-8-12(2-3-15(17)22)27-11-14(21(29)30)20(28)13-9-16(23)19(10-18(13)27)26-6-4-25-5-7-26/h2-3,8-11,24-25H,4-7H2,1H3,(H,29,30)