
 CHEMBL2338175

 54 58  0  0  0  0  0  0  0  0999 V2000
    0.7531    1.2239    0.8763 C   0  0  0  0  0
    2.0059    1.9450    0.4199 C   0  0  0  0  0
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    5.6318    1.3656    1.8185 C   0  0  0  0  0
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    6.0288   -4.5308    4.3441 C   0  0  0  0  0
    7.3178   -4.9779    3.6427 C   0  0  0  0  0
    5.9247   -3.0010    4.2673 C   0  0  0  0  0
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    2.3681    2.5656    1.2454 H   0  0  0  0  0
    1.7886    2.5814   -0.4450 H   0  0  0  0  0
    4.1337    2.1627   -1.1661 H   0  0  0  0  0
    4.6775   -0.2097   -1.5900 H   0  0  0  0  0
    6.1244    0.6501   -1.0350 H   0  0  0  0  0
    5.8864   -1.4587    0.1491 H   0  0  0  0  0
    4.2164   -1.0689    0.6106 H   0  0  0  0  0
    6.8387    1.5559    3.6212 H   0  0  0  0  0
    6.7280    3.9718    3.7580 H   0  0  0  0  0
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    3.9267   -5.1511    1.6732 H   0  0  0  0  0
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    3.7449   -2.8252    2.5741 H   0  0  0  0  0
    4.8634   -6.2453    3.6995 H   0  0  0  0  0
    3.8902   -4.8455    4.1470 H   0  0  0  0  0
    6.0482   -4.8487    5.3926 H   0  0  0  0  0
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    7.4082   -6.0704    3.6872 H   0  0  0  0  0
    5.0209   -2.6727    4.7982 H   0  0  0  0  0
    6.7767   -2.5658    4.8069 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
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  2 30  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 36  1  0  0  0
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 18 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2338175

>  <PubChem CID>
71559418

>  <Formula>
C22H29NO2

>  <Molecular Weight>
339.479000

>  <IUPAC Name>
1-adamantyl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCOC1CCN(C2=CC=CC=C12)C(=O)C34CC5CC(C3)CC(C5)C4

>  <Isomeric SMILES>
CCOC1CCN(C2=CC=CC=C12)C(=O)C34CC5CC(C3)CC(C5)C4

>  <InChI Std. ID>
InChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3

>  <InChI Key>
CLJSEPHWOLCFPG-UHFFFAOYSA-N

