
 CHEMBL3731811

 58 62  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
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  2  3  1  0  0  0
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  2 33  1  0  0  0
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3731811

>  <PubChem CID>
11552633

>  <Formula>
C28H29N

>  <Molecular Weight>
379.547000

>  <IUPAC Name>
(3E)-2-benzhydryl-3-(2-phenylethylidene)-1-azabicyclo[2.2.2]octane

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN2CCC1C(=CCC3=CC=CC=C3)C2C(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN2CCC1/C(=C\CC3=CC=CC=C3)/C2C(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H29N/c1-4-10-22(11-5-1)16-17-26-23-18-20-29(21-19-23)28(26)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,17,23,27-28H,16,18-21H2/b26-17+

>  <InChI Key>
DTSJBNQOGPSNTC-YZSQISJMSA-N

