[5,6,8-tris(fluoranyl)-1-(2-hydroxyethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [5,6,8-tris(fluoranyl)-1-(2-hydroxyethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [5,6,8-trifluoro-1-(2-hydroxyethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [5,6,8-trifluoro-1-(2-hydroxyethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinyl] ester IUPAC Name: [5,6,8-trifluoro-1-(2-hydroxyethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [5,6,8-trifluoro-1-(2-hydroxyethyl)-4-keto-7-(4-methylpiperazino)-3-quinolyl] ester Formula: C17H18F3N3O5 MolecularWeight: 401.33713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3CCO)OC(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3CCO)OC(=O)O)F

InChI

InChI=1S/C17H18F3N3O5/c1-21-2-4-22(5-3-21)15-12(19)11(18)10-14(13(15)20)23(6-7-24)8-9(16(10)25)28-17(26)27/h8,24H,2-7H2,1H3,(H,26,27)