7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoranyl-1-hexyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoranyl-1-hexyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-1-hexyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-(4-ethoxycarbonyl-1-piperazinyl)-6-fluoro-1-hexyl-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-1-hexyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-carbethoxypiperazino)-6-fluoro-1-hexyl-4-keto-quinoline-3-carboxylate Formula: C23H29FN3O5- MolecularWeight: 446.491863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)[O-]

Isomeric SMILES

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)[O-]

InChI

InChI=1S/C23H30FN3O5/c1-3-5-6-7-8-27-15-17(22(29)30)21(28)16-13-18(24)20(14-19(16)27)25-9-11-26(12-10-25)23(31)32-4-2/h13-15H,3-12H2,1-2H3,(H,29,30)/p-1