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N-(5-Bromo-2-(4-(3-phthalimidopropyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID 2a36DU6q2jl
InChI InChI=1S/C37H32BrN5O4/c38-26-15-16-32(42-21-19-41(20-22-42)17-8-18-43-36(45)28-12-5-6-13-29(28)37(43)46)31(24-26)40-34(44)30-23-25-9-4-7-14-33(25)47-35(30)39-27-10-2-1-3-11-27/h1-7,9-16,23-24H,8,17-22H2,(H,40,44)/b39-35-
InChIKey OJRCSESGEQSIMB-ICKFRXAFSA-N
Mol Weight 690.6 g/mol
Molecular Formula C37H32BrN5O4
Exact Mass 689.163768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YYrQFfTqEH
Name N-(5-Bromo-2-(4-(3-phthalimidopropyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Alternate Name(s) (Z)-N-(5-bromo-2-(4-(3-(1,3-dioxoisoindolin-2-yl)propyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
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Formula C37H32BrN5O4
InChI InChI=1S/C37H32BrN5O4/c38-26-15-16-32(42-21-19-41(20-22-42)17-8-18-43-36(45)28-12-5-6-13-29(28)37(43)46)31(24-26)40-34(44)30-23-25-9-4-7-14-33(25)47-35(30)39-27-10-2-1-3-11-27/h1-7,9-16,23-24H,8,17-22H2,(H,40,44)/b39-35-
InChIKey OJRCSESGEQSIMB-ICKFRXAFSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 690.598 g/mol
SMILES N(C(C1=Cc2ccccc2O\C1=N\c1ccccc1)=O)c1cc(ccc1N1CCN(CC1)CCCN1C(=O)c2ccccc2C1=O)Br
SPLASH splash10-0007-0290307000-5c1d48cd014d051db004
Source of Spectrum G2-21-2410-9f
Wiley ID 1754128