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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-hexanoylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-hexanoylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxohexyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-hexanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-caproylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4/c1-3-5-6-7-20(27)26-10-8-25(9-11-26)19-13-18-15(12-17(19)23)21(28)16(22(29)30)14-24(18)4-2/h12-14H,3-11H2,1-2H3,(H,29,30)