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N-(2-(4-tert-butoxycarbonylpiperazin-1-yl)-5-bromophenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID DsoGKFMiu37
InChI InChI=1S/C31H31BrN4O4/c1-31(2,3)40-30(38)36-17-15-35(16-18-36)26-14-13-22(32)20-25(26)34-28(37)24-19-21-9-7-8-12-27(21)39-29(24)33-23-10-5-4-6-11-23/h4-14,19-20H,15-18H2,1-3H3,(H,34,37)/b33-29-
InChIKey LVHTYRBZWSTDDV-IYOYZZHUSA-N
Mol Weight 603.52 g/mol
Molecular Formula C31H31BrN4O4
Exact Mass 602.152868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ExYGpu9A
Name N-(2-(4-tert-butoxycarbonylpiperazin-1-yl)-5-bromophenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Alternate Name(s) (Z)-tert-butyl 4-(4-bromo-2-(2-(phenylimino)-2H-chromene-3-carboxamido)phenyl)piperazine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31BrN4O4
InChI InChI=1S/C31H31BrN4O4/c1-31(2,3)40-30(38)36-17-15-35(16-18-36)26-14-13-22(32)20-25(26)34-28(37)24-19-21-9-7-8-12-27(21)39-29(24)33-23-10-5-4-6-11-23/h4-14,19-20H,15-18H2,1-3H3,(H,34,37)/b33-29-
InChIKey LVHTYRBZWSTDDV-IYOYZZHUSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 603.517 g/mol
SMILES N(C(C1=Cc2c(cccc2)O\C1=N\c1ccccc1)=O)c1c(ccc(Br)c1)N1CCN(CC1)C(OC(C)(C)C)=O
SPLASH splash10-0072-2090131000-65e12ce9488428c1d751
Source of Spectrum G2-21-2408-7b
Wiley ID 1754120