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(4-bromophenyl)-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone
SpectraBase Compound ID 1xKAEcfHoHZ
InChI InChI=1S/C21H22BrFN4O4/c22-16-3-1-15(2-4-16)21(28)26-7-5-24(6-8-26)19-14-18(25-9-11-31-12-10-25)17(23)13-20(19)27(29)30/h1-4,13-14H,5-12H2
InChIKey PFCUQAVLWSTWOB-UHFFFAOYSA-N
Mol Weight 493.33 g/mol
Molecular Formula C21H22BrFN4O4
Exact Mass 492.080846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55ribwFtjs
Name (4-bromophenyl)-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone
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Formula C21H22BrFN4O4
InChI InChI=1S/C21H22BrFN4O4/c22-16-3-1-15(2-4-16)21(28)26-7-5-24(6-8-26)19-14-18(25-9-11-31-12-10-25)17(23)13-20(19)27(29)30/h1-4,13-14H,5-12H2
InChIKey PFCUQAVLWSTWOB-UHFFFAOYSA-N
Molecular Weight 493.333 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)F)N1CCOCC1)N1CCN(C(c2ccc(cc2)Br)=O)CC1
SPLASH splash10-008i-4950000000-a9ffed9ae51a7b9285a9
Synonyms (4-bromophenyl)-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazin-1-yl]methanone (4-bromophenyl)-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazino]methanone (4-bromophenyl)-[4-[4-fluoro-5-(4-morpholinyl)-2-nitrophenyl]-1-piperazinyl]methanone
Wiley ID 1459473