CHEBI:125131 - 4-[4-[(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 4-[4-[(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:125131
Stars This entity has been manually annotated by a third party.
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Formula C28H29N3O3
Net Charge 0
Average Mass 455.549
Monoisotopic Mass 455.22089
InChI InChI=1S/C28H29N3O3/c1-30(2)28(32)22-10-6-20(7-11-22)19-4-8-21(9-5-19)27-23-15-31(16-24(27)29-23)14-18-3-12-25-26(13-18)34-17-33-25/h3-13,23-24,27,29H,14-17H2,1-2H3/t23-,24+,27?
InChIKey BVKXLWVLEYIMKG-VKSRLUHHSA-N
SMILES CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CC6=C(C=C5)OCO6
ChEBI Ontology
Outgoing 4-[4-[(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:125131) is a piperidines (CHEBI:26151)
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