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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[2-(furan-3-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[2-(3-furyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[2-(3-furanyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[2-(furan-3-yl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[2-(3-furyl)-2-keto-ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O5/c1-2-25-11-16(22(29)30)21(28)15-9-17(23)19(10-18(15)25)26-6-4-24(5-7-26)12-20(27)14-3-8-31-13-14/h3,8-11,13H,2,4-7,12H2,1H3,(H,29,30)