
 CHEMBL329566

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.1756    4.2120    0.2662 C   0  0  0  0  0
    2.0345    3.0662    0.5813 N   0  0  0  0  0
    1.2168    1.8532    0.6697 C   0  0  0  0  0
    3.0925    2.9438   -0.4431 C   0  0  0  0  0
    4.1295    1.8320   -0.1977 C   0  0  0  0  0
    4.9567    1.9886    1.0728 C   0  0  0  0  0
    6.3837    2.2283    0.5755 C   0  0  0  0  0
    6.3672    1.4976   -0.7797 C   0  0  0  0  0
    5.0538    1.7953   -1.3065 O   0  0  0  0  0
    6.6133   -0.0042   -0.7628 C   0  0  0  0  0
    5.6801   -0.9212   -1.2792 C   0  0  0  0  0
    5.9167   -2.2959   -1.2367 C   0  0  0  0  0
    7.0998   -2.7791   -0.6916 C   0  0  0  0  0
    8.0564   -1.8874   -0.2139 C   0  0  0  0  0
    7.8307   -0.5000   -0.2636 C   0  0  0  0  0
    8.9045    0.4536    0.1936 C   0  0  0  0  0
    8.5759    1.1650    1.4822 C   0  0  0  0  0
    9.4808    1.0160    2.5550 C   0  0  0  0  0
    9.2906    1.6808    3.7632 C   0  0  0  0  0
    8.1973    2.5183    3.9165 C   0  0  0  0  0
    7.2902    2.6716    2.8675 C   0  0  0  0  0
    7.4422    1.9873    1.6400 C   0  0  0  0  0
    1.7597    5.1384    0.2468 H   0  0  0  0  0
    0.4084    4.3424    1.0380 H   0  0  0  0  0
    0.6733    4.0979   -0.7017 H   0  0  0  0  0
    0.3922    1.9929    1.3783 H   0  0  0  0  0
    1.8006    1.0114    1.0557 H   0  0  0  0  0
    0.7902    1.5694   -0.2996 H   0  0  0  0  0
    3.6396    3.8944   -0.5096 H   0  0  0  0  0
    2.6483    2.7938   -1.4372 H   0  0  0  0  0
    3.6196    0.8631   -0.1846 H   0  0  0  0  0
    4.8957    1.0662    1.6645 H   0  0  0  0  0
    4.5942    2.7982    1.7153 H   0  0  0  0  0
    6.4523    3.3007    0.3309 H   0  0  0  0  0
    7.0877    1.9469   -1.4733 H   0  0  0  0  0
    4.7521   -0.5731   -1.7284 H   0  0  0  0  0
    5.1750   -2.9851   -1.6316 H   0  0  0  0  0
    7.2844   -3.8486   -0.6531 H   0  0  0  0  0
    8.9866   -2.2784    0.1909 H   0  0  0  0  0
    9.8497   -0.0965    0.2950 H   0  0  0  0  0
    9.1089    1.1965   -0.5882 H   0  0  0  0  0
   10.3539    0.3743    2.4506 H   0  0  0  0  0
    9.9999    1.5512    4.5758 H   0  0  0  0  0
    8.0460    3.0543    4.8494 H   0  0  0  0  0
    6.4483    3.3455    3.0188 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 31  1  0  0  0
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  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL329566

>  <PubChem CID>
9839050

>  <Formula>
C20H23NO

>  <Molecular Weight>
293.410000

>  <IUPAC Name>


>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CC1CC2C(O1)C3=CC=CC=C3CC4=CC=CC=C24

>  <Isomeric SMILES>
CN(C)C[C@H]1C[C@H]2[C@H](O1)C3=CC=CC=C3CC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19-,20-/m1/s1

>  <InChI Key>
ACTVOFFLDWZANE-NSISKUIASA-N

