
 CHEMBL329268

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.1859    4.2826    0.5350 C   0  0  0  0  0
    2.0310    3.1168    0.8077 N   0  0  0  0  0
    1.1901    1.9284    0.9686 C   0  0  0  0  0
    3.0199    2.9529   -0.2770 C   0  0  0  0  0
    4.0418    1.8179   -0.0739 C   0  0  0  0  0
    4.9066    1.9488    1.1739 C   0  0  0  0  0
    6.3148    2.2065    0.6384 C   0  0  0  0  0
    6.2637    1.4832   -0.7201 C   0  0  0  0  0
    4.9341    1.7752   -1.2092 O   0  0  0  0  0
    6.5177   -0.0173   -0.7165 C   0  0  0  0  0
    5.5750   -0.9373   -1.2087 C   0  0  0  0  0
    5.8195   -2.3112   -1.1792 C   0  0  0  0  0
    7.0205   -2.7902   -0.6706 C   0  0  0  0  0
    7.9862   -1.8939   -0.2163 C   0  0  0  0  0
    7.7521   -0.5092   -0.2531 C   0  0  0  0  0
    8.8329    0.4474    0.1804 C   0  0  0  0  0
    8.5353    1.1494    1.4815 C   0  0  0  0  0
    9.4668    0.9977    2.5309 C   0  0  0  0  0
    9.3029    1.6533    3.7483 C   0  0  0  0  0
    8.2100    2.4845    3.9341 C   0  0  0  0  0
    7.2776    2.6409    2.9085 C   0  0  0  0  0
    7.4024    1.9658    1.6728 C   0  0  0  0  0
    1.7930    5.1918    0.4602 H   0  0  0  0  0
    0.4789    4.4468    1.3567 H   0  0  0  0  0
    0.6138    4.1706   -0.3940 H   0  0  0  0  0
    0.4269    2.0961    1.7378 H   0  0  0  0  0
    1.7779    1.0724    1.3154 H   0  0  0  0  0
    0.6824    1.6508    0.0375 H   0  0  0  0  0
    3.5859    3.8877   -0.3919 H   0  0  0  0  0
    2.5133    2.7993   -1.2404 H   0  0  0  0  0
    3.5124    0.8590   -0.0547 H   0  0  0  0  0
    4.8693    1.0117    1.7434 H   0  0  0  0  0
    4.5610    2.7391    1.8473 H   0  0  0  0  0
    6.3685    3.2808    0.3990 H   0  0  0  0  0
    6.9626    1.9393   -1.4316 H   0  0  0  0  0
    4.6324   -0.5923   -1.6275 H   0  0  0  0  0
    5.0708   -3.0024   -1.5546 H   0  0  0  0  0
    7.2115   -3.8588   -0.6415 H   0  0  0  0  0
    8.9288   -2.2831    0.1615 H   0  0  0  0  0
    9.7828   -0.0987    0.2541 H   0  0  0  0  0
    9.0128    1.1955   -0.6023 H   0  0  0  0  0
   10.3401    0.3610    2.4007 H   0  0  0  0  0
   10.0319    1.5208    4.5425 H   0  0  0  0  0
    8.0781    3.0124    4.8745 H   0  0  0  0  0
    6.4361    3.3094    3.0851 H   0  0  0  0  0
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  1 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL329268

>  <PubChem CID>
44326705

>  <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)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+/m0/s1

>  <InChI Key>
ACTVOFFLDWZANE-PWIZWCRZSA-N

