
 CHEMBL3238444

 49 51  0  0  0  0  0  0  0  0999 V2000
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    0.5558   -2.4018    3.8588 N   0  0  0  0  0
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    1.3853   -4.0668    2.2686 C   0  0  0  0  0
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    0.8666   -7.7136    0.2297 C   0  0  0  0  0
    0.4270   -9.0292   -0.4105 C   0  0  0  0  0
    1.3942   -9.3918   -1.5448 C   0  0  0  0  0
    1.1170  -10.6751   -2.2067 N   0  0  0  0  0
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    1.4963   -0.9690    1.9424 C   0  0  0  0  0
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    2.0677  -12.0775   -3.4458 H   0  0  0  0  0
    3.1672  -10.9674   -2.6687 H   0  0  0  0  0
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    2.5254   -1.2974    1.7717 H   0  0  0  0  0
    1.4614    0.1050    1.7291 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
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  2  6  1  0  0  0
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  9 28  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3238444

>  <PubChem CID>
90654501

>  <Formula>
C18H26N4O

>  <Molecular Weight>
314.433000

>  <IUPAC Name>
1-[3-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN=C(N1C2=CC=C(C=C2)OCCCN3CCCCC3)C

>  <Isomeric SMILES>
CC1=NN=C(N1C2=CC=C(C=C2)OCCCN3CCCCC3)C

>  <InChI Std. ID>
InChI=1S/C18H26N4O/c1-15-19-20-16(2)22(15)17-7-9-18(10-8-17)23-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-14H2,1-2H3

>  <InChI Key>
BAAHTFHSCKWFDS-UHFFFAOYSA-N

