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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(4-piperidylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(4-piperidinylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(4-piperidylmethyl)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)CC4CCNCC4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4CCNCC4)F)C(=O)O

InChI

InChI=1S/C22H29FN4O3/c1-2-26-14-17(22(29)30)21(28)16-11-18(23)20(12-19(16)26)27-9-7-25(8-10-27)13-15-3-5-24-6-4-15/h11-12,14-15,24H,2-10,13H2,1H3,(H,29,30)