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1-[3-fluoranyl-4-[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]propan-1-one
SpectraBase Compound ID 7MNqE86WidC
InChI InChI=1S/C26H31FN4O4/c1-3-25(32)19-4-6-24(22(27)16-19)29-12-14-30(15-13-29)26(33)21-17-20(31(34)35)5-7-23(21)28-10-8-18(2)9-11-28/h4-7,16-18H,3,8-15H2,1-2H3
InChIKey PPSXUJHLEZNINP-UHFFFAOYSA-N
Mol Weight 482.56 g/mol
Molecular Formula C26H31FN4O4
Exact Mass 482.232934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50DuSqWr04H
Name 1-[3-fluoranyl-4-[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]propan-1-one
Alternate Name(s) 1-[3-fluoro-4-[4-[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]piperazin-1-yl]phenyl]propan-1-one 1-[3-fluoro-4-[4-[2-(4-methylpiperidino)-5-nitro-benzoyl]piperazino]phenyl]propan-1-one 1-[3-fluoro-4-[4-[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]-1-propanone
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Formula C26H31FN4O4
InChI InChI=1S/C26H31FN4O4/c1-3-25(32)19-4-6-24(22(27)16-19)29-12-14-30(15-13-29)26(33)21-17-20(31(34)35)5-7-23(21)28-10-8-18(2)9-11-28/h4-7,16-18H,3,8-15H2,1-2H3
InChIKey PPSXUJHLEZNINP-UHFFFAOYSA-N
Molecular Weight 482.556 g/mol
SMILES c1(C(N2CCN(CC2)c2c(cc(cc2)C(=O)CC)F)=O)c(N2CCC(CC2)C)ccc(N(=O)=O)c1
SPLASH splash10-0a4l-8890000000-dc39e61ae87c225267d9
Wiley ID 1458722