
 CHEMBL96732

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.1432    4.2749    0.3164 C   0  0  0  0  0
    2.0691    3.2005    0.6915 N   0  0  0  0  0
    1.3095    1.9848    0.9938 C   0  0  0  0  0
    3.0533    2.9925   -0.3907 C   0  0  0  0  0
    4.1274    1.9215   -0.1213 C   0  0  0  0  0
    4.9798    2.1569    1.1181 C   0  0  0  0  0
    6.4117    2.2921    0.5973 C   0  0  0  0  0
    6.3432    1.5275   -0.7391 C   0  0  0  0  0
    5.0271    1.8480   -1.2470 O   0  0  0  0  0
    6.5603    0.0220   -0.7045 C   0  0  0  0  0
    5.6079   -0.8840   -1.2051 C   0  0  0  0  0
    5.8260   -2.2618   -1.1634 C   0  0  0  0  0
    7.0098   -2.7616   -0.6350 C   0  0  0  0  0
    7.9845   -1.8818   -0.1709 C   0  0  0  0  0
    7.7783   -0.4928   -0.2203 C   0  0  0  0  0
    8.8719    0.4444    0.2219 C   0  0  0  0  0
    8.5648    1.1596    1.5126 C   0  0  0  0  0
    9.4523    0.9679    2.5932 C   0  0  0  0  0
    9.2761    1.6321    3.8038 C   0  0  0  0  0
    8.2171    2.5131    3.9508 C   0  0  0  0  0
    7.3270    2.7078    2.8943 C   0  0  0  0  0
    7.4598    2.0202    1.6661 C   0  0  0  0  0
    1.6864    5.2106    0.1473 H   0  0  0  0  0
    0.4293    4.4685    1.1244 H   0  0  0  0  0
    0.5779    4.0331   -0.5909 H   0  0  0  0  0
    0.5734    2.1796    1.7821 H   0  0  0  0  0
    1.9601    1.1968    1.3844 H   0  0  0  0  0
    0.7791    1.5993    0.1163 H   0  0  0  0  0
    3.5745    3.9397   -0.5848 H   0  0  0  0  0
    2.5434    2.7421   -1.3312 H   0  0  0  0  0
    3.6400    0.9427   -0.0467 H   0  0  0  0  0
    4.8777    1.3011    1.7963 H   0  0  0  0  0
    4.6655    3.0422    1.6796 H   0  0  0  0  0
    6.5432    3.3504    0.3217 H   0  0  0  0  0
    7.0585    1.9451   -1.4582 H   0  0  0  0  0
    4.6799   -0.5235   -1.6436 H   0  0  0  0  0
    5.0703   -2.9414   -1.5484 H   0  0  0  0  0
    7.1803   -3.8334   -0.5982 H   0  0  0  0  0
    8.9147   -2.2860    0.2215 H   0  0  0  0  0
    9.8105   -0.1185    0.3147 H   0  0  0  0  0
    9.0791    1.1832   -0.5630 H   0  0  0  0  0
   10.2997    0.2915    2.4926 H   0  0  0  0  0
    9.9697    1.4677    4.6230 H   0  0  0  0  0
    8.0770    3.0493    4.8854 H   0  0  0  0  0
    6.5105    3.4132    3.0427 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
  6  7  1  0  0  0
  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
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
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 21 22  2  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL96732

>  <PubChem CID>
44326298

>  <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+/m0/s1

>  <InChI Key>
ACTVOFFLDWZANE-KHMGXFTDSA-N

