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N-(2-(4-tert-Butoxycarbonyl-piperazin-1-yl)-5-bromophenyl)-2-imino-2H-chromene-3-carboxamide
SpectraBase Compound ID 8wZfhNxoFdr
InChI InChI=1S/C25H27BrN4O4/c1-25(2,3)34-24(32)30-12-10-29(11-13-30)20-9-8-17(26)15-19(20)28-23(31)18-14-16-6-4-5-7-21(16)33-22(18)27/h4-9,14-15,27H,10-13H2,1-3H3,(H,28,31)
InChIKey OSXPQUNHURKVEQ-UHFFFAOYSA-N
Mol Weight 527.42 g/mol
Molecular Formula C25H27BrN4O4
Exact Mass 526.121568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA70HWVWy3u
Name N-(2-(4-tert-Butoxycarbonyl-piperazin-1-yl)-5-bromophenyl)-2-imino-2H-chromene-3-carboxamide
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Formula C25H27BrN4O4
InChI InChI=1S/C25H27BrN4O4/c1-25(2,3)34-24(32)30-12-10-29(11-13-30)20-9-8-17(26)15-19(20)28-23(31)18-14-16-6-4-5-7-21(16)33-22(18)27/h4-9,14-15,27H,10-13H2,1-3H3,(H,28,31)
InChIKey OSXPQUNHURKVEQ-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 527.419 g/mol
SMILES N(C(C=1C(Oc2ccccc2C1)=N)=O)c1c(ccc(c1)Br)N1CCN(CC1)C(OC(C)(C)C)=O
SPLASH splash10-0592-2900110000-52a5aee96da31fb867ca
Source of Spectrum G2-21-2408-6b
Synonyms tert-Butyl 4-(4-bromo-2-(2-imino-2H-chromene-3-carboxamido)phenyl)piperazine-1-carboxylate 4-[4-bromo-2-[[(2-imino-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester tert-Butyl 4-[4-bromo-2-[(2-iminochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate tert-Butyl 4-[2-[(2-azanylidenechromen-3-yl)carbonylamino]-4-bromanyl-phenyl]piperazine-1-carboxylate
Wiley ID 1754117