
 CHEMBL545238

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.4896   -1.2342   -0.0398 C   0  0  0  0  0
    1.7287   -2.1067   -0.3234 C   0  0  0  0  0
    2.6408   -1.4159   -1.2436 N   0  0  0  0  0
    3.0928   -0.1340   -0.6873 C   0  0  0  0  0
    1.8927    0.7861   -0.4473 C   0  0  0  0  0
    0.8892    0.1426    0.5402 C   0  0  0  0  0
    1.4278    0.0240    1.9588 C   0  0  0  0  0
    1.8228    1.0483    2.8252 C   0  0  0  0  0
    2.2149    0.3854    3.9668 C   0  0  0  0  0
    2.6478    0.8905    4.9875 O   0  0  0  0  0
    2.0459   -0.9431    3.7920 N   0  0  0  0  0
    1.5734   -1.1263    2.5935 O   0  0  0  0  0
    1.8407    2.5383    2.5979 C   0  0  0  0  0
    0.9540    3.3069    3.5924 C   0  0  0  0  0
    1.0112    4.8067    3.3119 C   0  0  0  0  0
    0.5251    5.2467    2.0635 C   0  0  0  0  0
    0.5490    6.5920    1.7107 C   0  0  0  0  0
    1.0509    7.5397    2.5928 C   0  0  0  0  0
    1.5349    7.1527    3.8476 C   0  0  0  0  0
    2.0318    8.1299    4.7240 C   0  0  0  0  0
    2.5179    7.7694    5.9776 C   0  0  0  0  0
    2.5163    6.4338    6.3698 C   0  0  0  0  0
    2.0286    5.4425    5.5132 C   0  0  0  0  0
    1.5237    5.7790    4.2317 C   0  0  0  0  0
    2.9964   -0.4860   -4.6942 Br  0  0  0  0  0
   -0.0410   -1.0753   -1.0045 H   0  0  0  0  0
   -0.2105   -1.7611    0.6452 H   0  0  0  0  0
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    3.4779   -2.0224   -1.4108 H   0  0  0  0  0
    3.6572   -0.2928    0.2590 H   0  0  0  0  0
    3.7755    0.3563   -1.4153 H   0  0  0  0  0
    2.2559    1.7698   -0.1073 H   0  0  0  0  0
    1.3801    0.9501   -1.4212 H   0  0  0  0  0
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    2.2501   -1.7030    4.4779 H   0  0  0  0  0
    1.4790    2.7592    1.5823 H   0  0  0  0  0
    2.8902    2.8919    2.6895 H   0  0  0  0  0
    1.2748    3.0384    4.6080 H   0  0  0  0  0
   -0.0998    2.9657    3.4983 H   0  0  0  0  0
    0.1209    4.5375    1.3522 H   0  0  0  0  0
    0.1740    6.9016    0.7441 H   0  0  0  0  0
    1.0600    8.5824    2.2961 H   0  0  0  0  0
    2.0422    9.1745    4.4350 H   0  0  0  0  0
    2.8982    8.5294    6.6484 H   0  0  0  0  0
    2.8964    6.1620    7.3461 H   0  0  0  0  0
    2.0594    4.4326    5.8790 H   0  0  0  0  0
    2.5569    0.6985   -3.8338 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 26  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545238

>  <PubChem CID>
45260898

>  <Formula>
C20H23BrN2O2

>  <Molecular Weight>
403.320000

>  <IUPAC Name>
4-(2-naphthalen-1-ylethyl)-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)CCC3=CC=CC4=CC=CC=C43.Br

>  <Isomeric SMILES>
C1CNCCC1C2=C(C(=O)NO2)CCC3=CC=CC4=CC=CC=C43.Br

>  <InChI Std. ID>
InChI=1S/C20H22N2O2.BrH/c23-20-18(19(24-22-20)16-10-12-21-13-11-16)9-8-15-6-3-5-14-4-1-2-7-17(14)15;/h1-7,16,21H,8-13H2,(H,22,23);1H

>  <InChI Key>
PIVQTCIXOMVATI-UHFFFAOYSA-N

