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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(furan-3-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(3-furyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(3-furanyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(furan-3-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(3-furyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=COC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=COC=C4)F)C(=O)O

InChI

InChI=1S/C20H20FN3O4/c1-2-23-9-14(20(26)27)19(25)13-7-15(21)18(8-17(13)23)24-5-4-22-16(10-24)12-3-6-28-11-12/h3,6-9,11,16,22H,2,4-5,10H2,1H3,(H,26,27)