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CHEBI:125072 - 4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125072
ChEBI Name4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC25H27N3O
Net Charge0
Average Mass385.511
Monoisotopic Mass385.21541
SMILESN#Cc1ccc(-c2ccc(C3[C@@H]4CN(C(=O)C5CCCCC5)C[C@H]3N4)cc2)cc1
InChIInChI=1S/C25H27N3O/c26-14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24-22-15-28(16-23(24)27-22)25(29)21-4-2-1-3-5-21/h6-13,21-24,27H,1-5,15-16H2/t22-,23+,24?
InChIKeyRCPMJKRXHVWLMI-VSGJHWFKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125072) is a biphenyls (CHEBI:22888)
4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125072) is a nitrile (CHEBI:18379)
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