1-ethyl-6-fluoranyl-7-(4-octanoylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-octanoylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-octanoylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxooctyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-octanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-caprylylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H32FN3O4 MolecularWeight: 445.526983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C24H32FN3O4/c1-3-5-6-7-8-9-22(29)28-12-10-27(11-13-28)21-15-20-17(14-19(21)25)23(30)18(24(31)32)16-26(20)4-2/h14-16H,3-13H2,1-2H3,(H,31,32)