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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(morpholin-4-ylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(morpholinomethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(4-morpholinylmethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(morpholin-4-ylmethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(morpholinomethyl)piperazino]quinoline-3-carboxylic acid Formula: C21H27FN4O4 MolecularWeight: 418.461883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4CCOCC4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4CCOCC4)F)C(=O)O

InChI

InChI=1S/C21H27FN4O4/c1-2-25-13-16(21(28)29)20(27)15-11-17(22)19(12-18(15)25)26-5-3-23(4-6-26)14-24-7-9-30-10-8-24/h11-13H,2-10,14H2,1H3,(H,28,29)