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4-{5-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl}morpholine
SpectraBase Compound ID 9VH2EhLTn0X
InChI InChI=1S/C22H22ClF3N4O4/c1-13-10-15(25)21(26)19(20(13)23)22(31)29-4-2-27(3-5-29)17-12-16(28-6-8-34-9-7-28)14(24)11-18(17)30(32)33/h10-12H,2-9H2,1H3
InChIKey QOYLRHAJOMMWGI-UHFFFAOYSA-N
Mol Weight 498.89 g/mol
Molecular Formula C22H22ClF3N4O4
Exact Mass 498.128167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIJ95DmliCk
Name (2-chloro-5,6-difluoro-3-methyl-phenyl)-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazin-1-yl]methanone
Alternate Name(s) (2-chloro-5,6-difluoro-3-methyl-phenyl)-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazino]methanone (2-chloro-5,6-difluoro-3-methylphenyl)-[4-[4-fluoro-5-(4-morpholinyl)-2-nitrophenyl]-1-piperazinyl]methanone [2-chloranyl-5,6-bis(fluoranyl)-3-methyl-phenyl]-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone
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Formula C22H22ClF3N4O4
InChI InChI=1S/C22H22ClF3N4O4/c1-13-10-15(25)21(26)19(20(13)23)22(31)29-4-2-27(3-5-29)17-12-16(28-6-8-34-9-7-28)14(24)11-18(17)30(32)33/h10-12H,2-9H2,1H3
InChIKey QOYLRHAJOMMWGI-UHFFFAOYSA-N
Molecular Weight 498.890 g/mol
SMILES c1(C(N2CCN(c3c(N(=O)=O)cc(c(c3)N3CCOCC3)F)CC2)=O)c(c(F)cc(c1Cl)C)F
SPLASH splash10-000l-2930000000-d5d4471ec80e327c8b8e
Wiley ID 1461839