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N-(5-Bromo-2-(4-(4-phthalimidobutyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID AmRG6TpZiwo
InChI InChI=1S/C38H34BrN5O4/c39-27-16-17-33(43-22-20-42(21-23-43)18-8-9-19-44-37(46)29-13-5-6-14-30(29)38(44)47)32(25-27)41-35(45)31-24-26-10-4-7-15-34(26)48-36(31)40-28-11-2-1-3-12-28/h1-7,10-17,24-25H,8-9,18-23H2,(H,41,45)/b40-36-
InChIKey CCBJYMSELAITLT-NJMFHTGSSA-N
Mol Weight 704.6 g/mol
Molecular Formula C38H34BrN5O4
Exact Mass 703.179418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tY6Y4VSMUW
Name N-(5-Bromo-2-(4-(4-phthalimidobutyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34BrN5O4
InChI InChI=1S/C38H34BrN5O4/c39-27-16-17-33(43-22-20-42(21-23-43)18-8-9-19-44-37(46)29-13-5-6-14-30(29)38(44)47)32(25-27)41-35(45)31-24-26-10-4-7-15-34(26)48-36(31)40-28-11-2-1-3-12-28/h1-7,10-17,24-25H,8-9,18-23H2,(H,41,45)/b40-36-
InChIKey CCBJYMSELAITLT-NJMFHTGSSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 704.625 g/mol
SMILES N(C(C1=Cc2ccccc2O\C1=N\c1ccccc1)=O)c1cc(ccc1N1CCN(CC1)CCCCN1C(=O)c2ccccc2C1=O)Br
SPLASH splash10-0pi1-1290200600-9c05e4879ab078af1d21
Source of Spectrum G2-21-2410-9g
Synonyms (Z)-N-(5-bromo-2-(4-(4-(1,3-dioxoisoindolin-2-yl)butyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Wiley ID 1754129