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CHEBI:125113 - (1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

ChEBI IDCHEBI:125113
ChEBI Name(1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
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FormulaC26H22N4O3
Net Charge0
Average Mass438.487
Monoisotopic Mass438.16919
SMILESN#Cc1ccc(-c2ccc(C3[C@@H]4CN(C(=O)Nc5ccc6c(c5)OCO6)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C26H22N4O3/c27-12-16-1-3-17(4-2-16)18-5-7-19(8-6-18)25-21-13-30(14-22(25)29-21)26(31)28-20-9-10-23-24(11-20)33-15-32-23/h1-11,21-22,25,29H,13-15H2,(H,28,31)/t21-,22+,25?
InChIKeyBIEAKEAKNXDGCH-OFFJZUQKSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125113) is a biphenyls (CHEBI:22888)
(1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125113) is a nitrile (CHEBI:18379)
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