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CHEBI:125066 - (1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125066
ChEBI Name(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
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FormulaC26H26N2O2
Net Charge0
Average Mass398.506
Monoisotopic Mass398.19943
SMILESCc1ccccc1-c1ccc(C2[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]2N3)cc1
InChIInChI=1S/C26H26N2O2/c1-17-4-2-3-5-21(17)19-7-9-20(10-8-19)26-22-14-28(15-23(26)27-22)13-18-6-11-24-25(12-18)30-16-29-24/h2-12,22-23,26-27H,13-16H2,1H3/t22-,23+,26?
InChIKeyLAGLNKQLGINVOX-XZQOPNAISA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125066) is a piperidines (CHEBI:26151)
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