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N-(5-Bromo-2-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID Fib2ialNY9P
InChI InChI=1S/C31H25BrN4O4/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-39-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)40-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30-
InChIKey DJSVNKICBGYXSA-MEIHLTSWSA-N
Mol Weight 597.47 g/mol
Molecular Formula C31H25BrN4O4
Exact Mass 596.105918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AdpPplREXl
Name N-(5-Bromo-2-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Alternate Name(s) (Z)-N-(5-bromo-2-(4-(furan-2-carbonyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25BrN4O4
InChI InChI=1S/C31H25BrN4O4/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-39-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)40-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30-
InChIKey DJSVNKICBGYXSA-MEIHLTSWSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 597.469 g/mol
SMILES N(C(C1=Cc2c(cccc2)O\C1=N\c1ccccc1)=O)c1c(ccc(Br)c1)N1CCN(CC1)C(c1ccco1)=O
SPLASH splash10-007k-2091070000-62f58eaa609c7f04fe8a
Source of Spectrum G2-21-2411-9m
Wiley ID 1754135