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endo-4-(4'-cyanophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane
SpectraBase Compound ID HDAa4ZkrXV5
InChI InChI=1S/C24H18N4O2/c25-14-15-9-11-16(12-10-15)21-19-20(22(27-21)18-8-4-5-13-26-18)24(30)28(23(19)29)17-6-2-1-3-7-17/h1-13,19-22,27H
InChIKey VKRQAVCNHJUJPT-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C24H18N4O2
Exact Mass 394.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l7K4JWTSEO
Name endo-4-(4'-cyanophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane
CAS Registry Number 123539-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4O2
InChI InChI=1S/C24H18N4O2/c25-14-15-9-11-16(12-10-15)21-19-20(22(27-21)18-8-4-5-13-26-18)24(30)28(23(19)29)17-6-2-1-3-7-17/h1-13,19-22,27H
InChIKey VKRQAVCNHJUJPT-UHFFFAOYSA-N
Molecular Weight 394.434 g/mol
SMILES N1C(C2C(C1c1ncccc1)C(N(C2=O)c1ccccc1)=O)c1ccc(C#N)cc1
SPLASH splash10-00di-1190000000-aadfdf170022539ab04d
Source of Spectrum F-45-1743-23
Synonyms 4-[4,6-dioxo-5-phenyl-3-(2-pyridinyl)octahydropyrrolo[3,4-c]pyrrol-1-yl]benzonitrile
Wiley ID 1366764