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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(1-methyl-4-piperidyl)piperazino]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)N3CCN(CC3)C4CCN(CC4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4CCN(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)27-10-8-26(9-11-27)15-4-6-24(2)7-5-15/h12-15H,3-11H2,1-2H3,(H,29,30)