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1-[m-(Trifluoromethyl)phenyl]-7-(piperazin-1'-yl)-3-(hydroxycarnonyl)-6-fluoro-1,4-dihydro-4-quinolone
SpectraBase Compound ID 9iv3zxaJ9Fy
InChI InChI=1S/C21H17F4N3O3/c22-16-9-14-17(10-18(16)27-6-4-26-5-7-27)28(11-15(19(14)29)20(30)31)13-3-1-2-12(8-13)21(23,24)25/h1-3,8-11,26H,4-7H2,(H,30,31)
InChIKey DZOSVHPZZCHEIA-UHFFFAOYSA-N
Mol Weight 435.38 g/mol
Molecular Formula C21H17F4N3O3
Exact Mass 435.120604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zdfXkYlKQ5
Name 1-[m-(Trifluoromethyl)phenyl]-7-(piperazin-1'-yl)-3-(hydroxycarnonyl)-6-fluoro-1,4-dihydro-4-quinolone
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Formula C21H17F4N3O3
InChI InChI=1S/C21H17F4N3O3/c22-16-9-14-17(10-18(16)27-6-4-26-5-7-27)28(11-15(19(14)29)20(30)31)13-3-1-2-12(8-13)21(23,24)25/h1-3,8-11,26H,4-7H2,(H,30,31)
InChIKey DZOSVHPZZCHEIA-UHFFFAOYSA-N
Molecular Weight 435.379 g/mol
SMILES N1CCN(c2c(cc3C(C(C(=O)O)=CN(c3c2)c2cc(C(F)(F)F)ccc2)=O)F)CC1
SPLASH splash10-0007-0009200000-23481b27551cd8dc851c
Source of Spectrum D8-329-189-6
Synonyms 6-Fluoro-4-oxo-7-(1-piperazinyl)-1-[3-(trifluoromethyl)phenyl]-3-quinolinecarboxylic acid 6-Fluoro-4-oxo-7-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid 6-Fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid
Wiley ID 1516145