CHEBI:126232 - (1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

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ChEBI Name (1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:126232
Stars This entity has been manually annotated by a third party.
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Formula C26H26N2O2
Net Charge 0
Average Mass 398.498
Monoisotopic Mass 398.19943
InChI InChI=1S/C26H26N2O2/c1-17-4-2-3-5-21(17)19-7-9-20(10-8-19)26-22-13-27-14-23(26)28(22)15-18-6-11-24-25(12-18)30-16-29-24/h2-12,22-23,26-27H,13-16H2,1H3/t22-,23+,26?
InChIKey FORPUHREVNKSEE-XZQOPNAISA-N
SMILES CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC6=C(C=C5)OCO6
ChEBI Ontology
Outgoing (1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:126232) is a piperidines (CHEBI:26151)
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