5-azanyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-6,8-difluoro-7-(4-methyl-1-piperazinyl)-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-4-keto-7-(4-methylpiperazino)-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C18H20F2N4O4 MolecularWeight: 394.372606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4COC4)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4COC4)C(=O)O)F

InChI

InChI=1S/C18H20F2N4O4/c1-22-2-4-23(5-3-22)16-12(19)14(21)11-15(13(16)20)24(9-7-28-8-9)6-10(17(11)25)18(26)27/h6,9H,2-5,7-8,21H2,1H3,(H,26,27)