
 CHEMBL545008

 58 60  0  0  0  0  0  0  0  0999 V2000
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    1.7941    1.2060   -4.9371 Br  0  0  0  0  0
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    1.1069   -1.4730    3.9126 H   0  0  0  0  0
    0.4993    2.9429    0.9519 H   0  0  0  0  0
    2.2408    2.6008    1.2679 H   0  0  0  0  0
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    2.0899   -0.0774   -4.1608 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545008

>  <PubChem CID>
45260848

>  <Formula>
C24H29BrN2O2

>  <Molecular Weight>
457.412000

>  <IUPAC Name>
4-(4,4-diphenylbutyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC1C2=C(C(=O)NO2)CCCC(C3=CC=CC=C3)C4=CC=CC=C4.Br

>  <Isomeric SMILES>
C1CNCCC1C2=C(C(=O)NO2)CCCC(C3=CC=CC=C3)C4=CC=CC=C4.Br

>  <InChI Std. ID>
InChI=1S/C24H28N2O2.BrH/c27-24-22(23(28-26-24)20-14-16-25-17-15-20)13-7-12-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19;/h1-6,8-11,20-21,25H,7,12-17H2,(H,26,27);1H

>  <InChI Key>
OIEYPULBRUQPNB-UHFFFAOYSA-N

