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1-(m-Cyanophenyl)-7-(piperazin-1'-yl)-3-(hydroxycarnonyl)-6-fluoro-1,4-dihydro-4-quinolone
SpectraBase Compound ID LTGHyS1NFJ6
InChI InChI=1S/C21H17FN4O3/c22-17-9-15-18(10-19(17)25-6-4-24-5-7-25)26(12-16(20(15)27)21(28)29)14-3-1-2-13(8-14)11-23/h1-3,8-10,12,24H,4-7H2,(H,28,29)
InChIKey ATGRAOLBQXXUCW-UHFFFAOYSA-N
Mol Weight 392.39 g/mol
Molecular Formula C21H17FN4O3
Exact Mass 392.128469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28FVhJWp1Ne
Name 1-(m-Cyanophenyl)-7-(piperazin-1'-yl)-3-(hydroxycarnonyl)-6-fluoro-1,4-dihydro-4-quinolone
Alternate Name(s) 1-(3-cyanophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 1-(3-cyanophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid 1-(3-cyanophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid 1-(3-cyanophenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid
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Formula C21H17FN4O3
InChI InChI=1S/C21H17FN4O3/c22-17-9-15-18(10-19(17)25-6-4-24-5-7-25)26(12-16(20(15)27)21(28)29)14-3-1-2-13(8-14)11-23/h1-3,8-10,12,24H,4-7H2,(H,28,29)
InChIKey ATGRAOLBQXXUCW-UHFFFAOYSA-N
Molecular Weight 392.390 g/mol
SMILES N1CCN(c2c(cc3C(C(C(=O)O)=CN(c3c2)c2cc(C#N)ccc2)=O)F)CC1
SPLASH splash10-0pbc-0009000000-16b54f9e804befdeb339
Source of Spectrum D8-329-189-6
Wiley ID 1516136