7-[3-(3,5-dimethylfuran-2-yl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(3,5-dimethylfuran-2-yl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 7-[3-(3,5-dimethyl-2-furyl)piperazin-1-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 7-[3-(3,5-dimethyl-2-furanyl)-1-piperazinyl]-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 7-[3-(3,5-dimethylfuran-2-yl)piperazin-1-yl]-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 7-[3-(3,5-dimethyl-2-furyl)piperazino]-6-fluoro-4-keto-1H-quinoline-3-carboxylic acid Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C2CN(CCN2)C3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F)C

Isomeric SMILES

CC1=CC(=C(O1)C2CN(CCN2)C3=C(C=C4C(=C3)NC=C(C4=O)C(=O)O)F)C

InChI

InChI=1S/C20H20FN3O4/c1-10-5-11(2)28-19(10)16-9-24(4-3-22-16)17-7-15-12(6-14(17)21)18(25)13(8-23-15)20(26)27/h5-8,16,22H,3-4,9H2,1-2H3,(H,23,25)(H,26,27)