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CHEBI:111271 - 1-[3-acetyl-5-[(4-bromophenyl)-oxomethyl]-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone

ChEBI IDCHEBI:111271
ChEBI Name1-[3-acetyl-5-[(4-bromophenyl)-oxomethyl]-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone
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FormulaC17H20BrN3O3
Net Charge0
Average Mass394.269
Monoisotopic Mass393.06880
SMILESCC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccc(Br)cc3)(C2)C1
InChIInChI=1S/C17H20BrN3O3/c1-12(22)20-8-17(16(24)14-3-5-15(18)6-4-14)7-19(10-20)11-21(9-17)13(2)23/h3-6H,7-11H2,1-2H3
InChIKeyCIIPOUCLSKMZSL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-acetyl-5-[(4-bromophenyl)-oxomethyl]-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone (CHEBI:111271) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-22727LINCS