
 CHEMBL92667

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.6830    4.7897    0.1783 C   0  0  0  0  0
    2.3093    3.4979    0.4737 N   0  0  0  0  0
    1.2863    2.4499    0.5006 C   0  0  0  0  0
    3.3633    3.2147   -0.5219 C   0  0  0  0  0
    4.1788    1.9288   -0.2768 C   0  0  0  0  0
    4.9356    1.9044    1.0462 C   0  0  0  0  0
    6.3835    2.1699    0.6398 C   0  0  0  0  0
    6.4327    1.4670   -0.7286 C   0  0  0  0  0
    5.1585    1.7941   -1.3309 O   0  0  0  0  0
    6.6414   -0.0408   -0.7119 C   0  0  0  0  0
    5.7047   -0.9315   -1.2648 C   0  0  0  0  0
    5.9042   -2.3118   -1.2168 C   0  0  0  0  0
    7.0515   -2.8265   -0.6256 C   0  0  0  0  0
    8.0090   -1.9603   -0.1028 C   0  0  0  0  0
    7.8219   -0.5687   -0.1567 C   0  0  0  0  0
    8.8919    0.3560    0.3645 C   0  0  0  0  0
    8.5130    1.0664    1.6407 C   0  0  0  0  0
    9.3657    0.9038    2.7535 C   0  0  0  0  0
    9.1260    1.5647    3.9555 C   0  0  0  0  0
    8.0342    2.4113    4.0637 C   0  0  0  0  0
    7.1796    2.5799    2.9745 C   0  0  0  0  0
    7.3838    1.9025    1.7509 C   0  0  0  0  0
    2.4255    5.5947    0.2089 H   0  0  0  0  0
    0.9279    5.0333    0.9342 H   0  0  0  0  0
    1.2007    4.7997   -0.8060 H   0  0  0  0  0
    0.4839    2.7110    1.2001 H   0  0  0  0  0
    1.7009    1.5039    0.8631 H   0  0  0  0  0
    0.8397    2.2819   -0.4860 H   0  0  0  0  0
    4.0714    4.0548   -0.5421 H   0  0  0  0  0
    2.9362    3.1711   -1.5337 H   0  0  0  0  0
    3.5173    1.0588   -0.3460 H   0  0  0  0  0
    4.8422    0.9110    1.5044 H   0  0  0  0  0
    4.5479    2.6229    1.7747 H   0  0  0  0  0
    6.4623    3.2478    0.4254 H   0  0  0  0  0
    7.2036    1.9088   -1.3709 H   0  0  0  0  0
    4.8021   -0.5583   -1.7435 H   0  0  0  0  0
    5.1613   -2.9814   -1.6416 H   0  0  0  0  0
    7.2059   -3.9011   -0.5815 H   0  0  0  0  0
    8.9087   -2.3775    0.3440 H   0  0  0  0  0
    9.8163   -0.2185    0.5122 H   0  0  0  0  0
    9.1555    1.0989   -0.3991 H   0  0  0  0  0
   10.2372    0.2549    2.6862 H   0  0  0  0  0
    9.7960    1.4247    4.7992 H   0  0  0  0  0
    7.8440    2.9431    4.9919 H   0  0  0  0  0
    6.3385    3.2620    3.0892 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL92667

>  <PubChem CID>
44326319

>  <Formula>
C20H23NO

>  <Molecular Weight>
293.410000

>  <IUPAC Name>


>  <XlogP>
3.6

>  <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)CC1C[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-ODFWGIBRSA-N

