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

Systemtic Name: 3-(3,5-dimethylfuran-2-yl)-6-fluoranyl-4-oxidanylidene-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 3-(3,5-dimethyl-2-furyl)-6-fluoro-4-oxo-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 3-(3,5-dimethyl-2-furanyl)-6-fluoro-4-oxo-1-(1-piperazinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 3-(3,5-dimethylfuran-2-yl)-6-fluoro-4-oxo-1-piperazin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 3-(3,5-dimethyl-2-furyl)-6-fluoro-4-keto-1-piperazino-2H-quinoline-3-carboxylic acid Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C2(CN(C3=C(C2=O)C=C(C=C3)F)N4CCNCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(O1)C2(CN(C3=C(C2=O)C=C(C=C3)F)N4CCNCC4)C(=O)O)C

InChI

InChI=1S/C20H22FN3O4/c1-12-9-13(2)28-18(12)20(19(26)27)11-24(23-7-5-22-6-8-23)16-4-3-14(21)10-15(16)17(20)25/h3-4,9-10,22H,5-8,11H2,1-2H3,(H,26,27)