CHEBI:125114 - 4-[4-[(1S,5R)-3-[cyclobutyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 4-[4-[(1S,5R)-3-[cyclobutyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:125114
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H29N3O2
Net Charge 0
Average Mass 403.518
Monoisotopic Mass 403.22598
InChI InChI=1S/C25H29N3O2/c1-27(2)24(29)20-12-8-17(9-13-20)16-6-10-18(11-7-16)23-21-14-28(15-22(23)26-21)25(30)19-4-3-5-19/h6-13,19,21-23,26H,3-5,14-15H2,1-2H3/t21-,22+,23?
InChIKey CAIRMNGGSRXYSX-AIZNXBIQSA-N
SMILES CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5CCC5
ChEBI Ontology
Outgoing 4-[4-[(1S,5R)-3-[cyclobutyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:125114) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-36576 LINCS
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