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

Properties Image MNX_ID MNXM340973 reference chebi:111271 formula C17H20BrN3O3 global charge 0 mol weight 394.269 InChIKey CIIPOUCLSKMZSL-UHFFFAOYSA-N InChI InChI=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 SMILES CC(=O)N1CN2CN(C(C)=O)CC(C(=O)C3=CC=C(Br)C=C3)(C2)C1 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][C:12]([N:20]1[CH2:8][C:17]2([C:16]([C:14]3=[CH:4][CH:6]=[C:15]([Br:18])[CH:5]=[CH:3]3)=[O:24])[CH2:7][N:19]([CH2:10]1)[CH2:11][N:21]([C:13]([CH3:2])=[O:23])[CH2:9]2)=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0