
 CHEMBL327651

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.1631    4.2237    0.3153 C   0  0  0  0  0
    2.0496    3.1022    0.6361 N   0  0  0  0  0
    1.2568    1.8795    0.7925 C   0  0  0  0  0
    3.0792    2.9644   -0.4147 C   0  0  0  0  0
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    4.9576    2.0477    1.1045 C   0  0  0  0  0
    6.3922    2.2539    0.6152 C   0  0  0  0  0
    6.3704    1.5221   -0.7400 C   0  0  0  0  0
    5.0630    1.8398   -1.2714 O   0  0  0  0  0
    6.5961    0.0169   -0.7234 C   0  0  0  0  0
    5.6573   -0.8854   -1.2557 C   0  0  0  0  0
    5.8722   -2.2640   -1.2108 C   0  0  0  0  0
    7.0396   -2.7651   -0.6493 C   0  0  0  0  0
    8.0034   -1.8874   -0.1578 C   0  0  0  0  0
    7.7999   -0.4983   -0.2098 C   0  0  0  0  0
    8.8838    0.4380    0.2596 C   0  0  0  0  0
    8.5539    1.1515    1.5464 C   0  0  0  0  0
    9.4414    0.9823    2.6305 C   0  0  0  0  0
    9.2465    1.6461    3.8387 C   0  0  0  0  0
    8.1672    2.5028    3.9805 C   0  0  0  0  0
    7.2778    2.6770    2.9193 C   0  0  0  0  0
    7.4334    1.9936    1.6914 C   0  0  0  0  0
    1.7313    5.1576    0.2419 H   0  0  0  0  0
    0.4236    4.3701    1.1114 H   0  0  0  0  0
    0.6257    4.0693   -0.6283 H   0  0  0  0  0
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    4.8742    1.1437    1.7213 H   0  0  0  0  0
    4.6066    2.8821    1.7216 H   0  0  0  0  0
    6.4865    3.3239    0.3684 H   0  0  0  0  0
    7.1008    1.9606   -1.4307 H   0  0  0  0  0
    4.7420   -0.5235   -1.7175 H   0  0  0  0  0
    5.1263   -2.9412   -1.6170 H   0  0  0  0  0
    7.2069   -3.8382   -0.6079 H   0  0  0  0  0
    8.9215   -2.2940    0.2596 H   0  0  0  0  0
    9.8193   -0.1271    0.3693 H   0  0  0  0  0
    9.1073    1.1791   -0.5189 H   0  0  0  0  0
   10.3041    0.3251    2.5356 H   0  0  0  0  0
    9.9417    1.5002    4.6607 H   0  0  0  0  0
    8.0115    3.0375    4.9134 H   0  0  0  0  0
    6.4460    3.3650    3.0620 H   0  0  0  0  0
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  1 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL327651

>  <PubChem CID>
44326690

>  <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-VDGAXYAQSA-N

