
 CHEMBL3289653

 48 51  0  0  0  0  0  0  0  0999 V2000
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   -3.1905   -3.1054    3.7787 C   0  0  0  0  0
   -2.2226   -2.1335    4.0212 C   0  0  0  0  0
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   -7.2357   -0.2050   -1.4748 Cl  0  0  0  0  0
    1.2012    0.8338   -1.7032 H   0  0  0  0  0
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  8 37  1  0  0  0
  9 10  1  0  0  0
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  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3289653

>  <PubChem CID>
90644066

>  <Formula>
C21H23ClN2O

>  <Molecular Weight>
354.878000

>  <IUPAC Name>
1-[3-(1-benzofuran-2-yl)propyl]-4-(4-chlorophenyl)piperazine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCCC2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCC2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN2O/c22-18-7-9-19(10-8-18)24-14-12-23(13-15-24)11-3-5-20-16-17-4-1-2-6-21(17)25-20/h1-2,4,6-10,16H,3,5,11-15H2

>  <InChI Key>
BPHVHUHFXREQBY-UHFFFAOYSA-N

