
 CHEMBL328170

 52 54  0  0  0  0  0  0  0  0999 V2000
    4.9845   -5.6464    1.9467 C   0  0  0  0  0
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    0.2406   -3.3718    0.8249 C   0  0  0  0  0
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  3 29  1  0  0  0
  4  5  2  0  0  0
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  5  6  1  0  0  0
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  7  8  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL328170

>  <PubChem CID>
14762572

>  <Formula>
C21H27N3O

>  <Molecular Weight>
337.467000

>  <IUPAC Name>
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methylbenzamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3

>  <Isomeric SMILES>
CC1=CC=CC=C1C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H27N3O/c1-18-7-5-6-10-20(18)21(25)22-11-12-23-13-15-24(16-14-23)17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)

>  <InChI Key>
AMBONBMEXKSALX-UHFFFAOYSA-N

