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N-(5-Bromo-2-(4-(2-phthalimidoethyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID JnhJ04W415W
InChI InChI=1S/C36H30BrN5O4/c37-25-14-15-31(41-19-16-40(17-20-41)18-21-42-35(44)27-11-5-6-12-28(27)36(42)45)30(23-25)39-33(43)29-22-24-8-4-7-13-32(24)46-34(29)38-26-9-2-1-3-10-26/h1-15,22-23H,16-21H2,(H,39,43)/b38-34-
InChIKey AJPRRCFTXUILRU-RXJYLVDRSA-N
Mol Weight 676.6 g/mol
Molecular Formula C36H30BrN5O4
Exact Mass 675.148117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LU2B77I31cs
Name N-(5-Bromo-2-(4-(2-phthalimidoethyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Alternate Name(s) (Z)-N-(5-bromo-2-(4-(2-(1,3-dioxoisoindolin-2-yl)ethyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
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Formula C36H30BrN5O4
InChI InChI=1S/C36H30BrN5O4/c37-25-14-15-31(41-19-16-40(17-20-41)18-21-42-35(44)27-11-5-6-12-28(27)36(42)45)30(23-25)39-33(43)29-22-24-8-4-7-13-32(24)46-34(29)38-26-9-2-1-3-10-26/h1-15,22-23H,16-21H2,(H,39,43)/b38-34-
InChIKey AJPRRCFTXUILRU-RXJYLVDRSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 676.571 g/mol
SMILES N(C(C1=Cc2c(cccc2)O\C1=N\c1ccccc1)=O)c1cc(Br)ccc1N1CCN(CC1)CCN1C(c2c(C1=O)cccc2)=O
SPLASH splash10-004j-1080409000-6c7d129a87a4911fbe55
Source of Spectrum G2-21-2410-9e
Wiley ID 1754127