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

Systemtic Name: 7-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(benzofuran-2-carbonyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H22FN3O5 MolecularWeight: 463.457683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)F)C(=O)O

InChI

InChI=1S/C25H22FN3O5/c1-2-27-14-17(25(32)33)23(30)16-12-18(26)20(13-19(16)27)28-7-9-29(10-8-28)24(31)22-11-15-5-3-4-6-21(15)34-22/h3-6,11-14H,2,7-10H2,1H3,(H,32,33)