
 CHEMBL66387

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL66387

>  <PubChem CID>
10185016

>  <Formula>
C33H36N2O2

>  <Molecular Weight>
492.663000

>  <IUPAC Name>
N,N-diethyl-4-[(8-phenacyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzamide

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CC(=O)C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CC(=O)C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C33H36N2O2/c1-3-34(4-2)33(37)27-17-15-26(16-18-27)32(25-13-9-6-10-14-25)28-21-29-19-20-30(22-28)35(29)23-31(36)24-11-7-5-8-12-24/h5-18,29-30H,3-4,19-23H2,1-2H3

>  <InChI Key>
AEIDXTHWUACBSH-UHFFFAOYSA-N

