1-[2-(diethoxyphosphorylmethylamino)ethyl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2-(diethoxyphosphorylmethylamino)ethyl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[2-(diethoxyphosphorylmethylamino)ethyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[2-(diethoxyphosphorylmethylamino)ethyl]-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[2-(diethoxyphosphorylmethylamino)ethyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-(diethoxyphosphorylmethylamino)ethyl]-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H32FN4O6P MolecularWeight: 498.484844

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CNCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O)OCC

InChI

InChI=1S/C22H32FN4O6P/c1-4-32-34(31,33-5-2)15-24-6-7-27-14-17(22(29)30)21(28)16-12-18(23)20(13-19(16)27)26-10-8-25(3)9-11-26/h12-14,24H,4-11,15H2,1-3H3,(H,29,30)