1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)O

InChI

InChI=1S/C21H20FN3O5/c1-2-23-12-14(21(28)29)19(26)13-10-15(22)17(11-16(13)23)24-5-7-25(8-6-24)20(27)18-4-3-9-30-18/h3-4,9-12H,2,5-8H2,1H3,(H,28,29)