
 CHEMBL145103

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M  END

>  <Chemical Name>
CHEMBL145103

>  <PubChem CID>
11661466

>  <Formula>
C28H28N2O

>  <Molecular Weight>
408.545000

>  <IUPAC Name>
4-[(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)oxymethyl]benzonitrile

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=C(C=C5)C#N

>  <Isomeric SMILES>
C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=C(C=C5)C#N

>  <InChI Std. ID>
InChI=1S/C28H28N2O/c29-19-21-11-13-22(14-12-21)20-31-28-25-15-17-30(18-16-25)27(28)26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25-28H,15-18,20H2

>  <InChI Key>
VXGPTRVARWWDQI-UHFFFAOYSA-N

