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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(4-methylpiperazino)piperidino]quinoline-3-carboxylic acid Formula: C22H29FN4O3 MolecularWeight: 416.489063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)N4CCN(CC4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)N4CCN(CC4)C)F)C(=O)O

InChI

InChI=1S/C22H29FN4O3/c1-3-25-14-17(22(29)30)21(28)16-12-18(23)20(13-19(16)25)27-6-4-15(5-7-27)26-10-8-24(2)9-11-26/h12-15H,3-11H2,1-2H3,(H,29,30)