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CHEBI:125121 - 1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone

ChEBI IDCHEBI:125121
ChEBI Name1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
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FormulaC23H20N4O3
Net Charge0
Average Mass400.438
Monoisotopic Mass400.15354
SMILESO=C(c1ccc2c(c1)OCO2)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C23H20N4O3/c28-23(16-5-6-20-21(7-16)30-13-29-20)27-10-18-22(19(11-27)26-18)15-3-1-14(2-4-15)17-8-24-12-25-9-17/h1-9,12,18-19,22,26H,10-11,13H2/t18-,19+,22?
InChIKeyOSJMXAFQFNZZOG-QIDMFYOTSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (CHEBI:125121) is a N-acylpiperidine (CHEBI:48591)
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