1-cyclopropyl-7-(4-diethoxyphosphorylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(4-diethoxyphosphorylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-diethoxyphosphorylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4-diethoxyphosphoryl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-diethoxyphosphorylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-diethoxyphosphorylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H27FN3O6P MolecularWeight: 467.427744

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OCC

Isomeric SMILES

CCOP(=O)(N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OCC

InChI

InChI=1S/C21H27FN3O6P/c1-3-30-32(29,31-4-2)24-9-7-23(8-10-24)19-12-18-15(11-17(19)22)20(26)16(21(27)28)13-25(18)14-5-6-14/h11-14H,3-10H2,1-2H3,(H,27,28)