
 CHEMBL274102

 58 61  0  0  0  0  0  0  0  0999 V2000
    3.6865   -0.3151   -4.6726 C   0  0  0  0  0
    3.1149   -1.1324   -3.6012 N   0  0  0  0  0
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    9.3075    2.0230   -3.7084 C   0  0  0  0  0
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    4.5169   -0.8363   -5.1624 H   0  0  0  0  0
    1.3533   -1.4647   -4.7268 H   0  0  0  0  0
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    6.3187   -2.7070    0.3695 H   0  0  0  0  0
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    7.3855    0.2969   -2.5809 H   0  0  0  0  0
    8.6139    1.7376   -0.3221 H   0  0  0  0  0
   10.0096   -0.3508   -0.7048 H   0  0  0  0  0
   10.8726    1.1729   -0.8867 H   0  0  0  0  0
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    7.8750    2.9802   -2.4072 H   0  0  0  0  0
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   12.7823    2.9410   -4.9025 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL274102

>  <PubChem CID>
44417865

>  <Formula>
C25H29N3O

>  <Molecular Weight>
387.527000

>  <IUPAC Name>
3-(dimethylamino)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
CN(C)C1=CC=CC(=C1)C(=O)NC2CCN(CC2)CC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C25H29N3O/c1-27(2)24-9-5-8-22(17-24)25(29)26-23-12-14-28(15-13-23)18-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,26,29)

>  <InChI Key>
AFEVCQVZGROKQD-UHFFFAOYSA-N

