1-(azetidin-3-yl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(azetidin-3-yl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(azetidin-3-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(3-azetidinyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(azetidin-3-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(azetidin-3-yl)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CNC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CNC4)F

InChI

InChI=1S/C18H21FN4O3/c1-21-2-4-22(5-3-21)16-7-15-12(6-14(16)19)17(24)13(18(25)26)10-23(15)11-8-20-9-11/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,25,26)