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CHEBI:128429 - 3-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:128429
ChEBI Name3-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC28H29N3O3
Net Charge0
Average Mass455.558
Monoisotopic Mass455.22089
SMILESCN(C)C(=O)c1cccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C28H29N3O3/c1-30(2)28(32)22-5-3-4-21(13-22)19-7-9-20(10-8-19)27-23-14-29-15-24(27)31(23)16-18-6-11-25-26(12-18)34-17-33-25/h3-13,23-24,27,29H,14-17H2,1-2H3/t23-,24+,27?
InChIKeyZNSZAARKAKQDDZ-VKSRLUHHSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:128429) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-39984LINCS