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CHEBI:125002 - 3-[4-[(1R,5S)-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:125002
ChEBI Name3-[4-[(1R,5S)-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
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FormulaC25H23N3
Net Charge0
Average Mass365.480
Monoisotopic Mass365.18920
SMILESN#Cc1cccc(-c2ccc(C3[C@@H]4CN(Cc5ccccc5)C[C@H]3N4)cc2)c1
InChIInChI=1S/C25H23N3/c26-14-19-7-4-8-22(13-19)20-9-11-21(12-10-20)25-23-16-28(17-24(25)27-23)15-18-5-2-1-3-6-18/h1-13,23-25,27H,15-17H2/t23-,24+,25?
InChIKeyPFLFSFGZCCVWHJ-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(1R,5S)-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125002) is a biphenyls (CHEBI:22888)
3-[4-[(1R,5S)-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (CHEBI:125002) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
LSM-36464LINCS