
 CHEMBL194994

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.0751    4.1978    0.3003 C   0  0  0  0  0
    2.0684    3.1829    0.6617 N   0  0  0  0  0
    1.3902    1.9292    0.9955 C   0  0  0  0  0
    3.0346    3.0177   -0.4430 C   0  0  0  0  0
    4.1748    2.0182   -0.1811 C   0  0  0  0  0
    5.0311    2.3194    1.0411 C   0  0  0  0  0
    6.4663    2.3937    0.5186 C   0  0  0  0  0
    6.3811    1.6495   -0.8243 C   0  0  0  0  0
    5.0613    1.9776   -1.3164 O   0  0  0  0  0
    6.5870    0.1513   -0.7790 C   0  0  0  0  0
    5.6654   -0.7684   -1.3041 C   0  0  0  0  0
    5.9125   -2.1426   -1.2536 C   0  0  0  0  0
    7.0997   -2.6198   -0.7031 C   0  0  0  0  0
    8.0445   -1.7209   -0.2159 C   0  0  0  0  0
    7.7804   -0.3507   -0.2517 C   0  0  0  0  0
    8.7790    0.5079    0.1375 O   0  0  0  0  0
    8.5575    1.1341    1.3396 C   0  0  0  0  0
    9.5135    0.8806    2.3323 C   0  0  0  0  0
    9.4220    1.5016    3.5742 C   0  0  0  0  0
    8.3874    2.3968    3.8165 C   0  0  0  0  0
    7.4465    2.6645    2.8182 C   0  0  0  0  0
    7.5033    2.0297    1.5597 C   0  0  0  0  0
    1.5603    5.1578    0.0889 H   0  0  0  0  0
    0.3838    4.3744    1.1330 H   0  0  0  0  0
    0.4870    3.9063   -0.5787 H   0  0  0  0  0
    0.6352    2.0928    1.7739 H   0  0  0  0  0
    2.0922    1.1993    1.4124 H   0  0  0  0  0
    0.8945    1.4813    0.1260 H   0  0  0  0  0
    3.4936    3.9908   -0.6672 H   0  0  0  0  0
    2.5180    2.7200   -1.3666 H   0  0  0  0  0
    3.7475    1.0142   -0.0835 H   0  0  0  0  0
    4.9003    1.5203    1.7827 H   0  0  0  0  0
    4.7433    3.2553    1.5358 H   0  0  0  0  0
    6.6504    3.4487    0.2637 H   0  0  0  0  0
    7.1019    2.0615   -1.5419 H   0  0  0  0  0
    4.7453   -0.4223   -1.7703 H   0  0  0  0  0
    5.1817   -2.8389   -1.6580 H   0  0  0  0  0
    7.2965   -3.6881   -0.6737 H   0  0  0  0  0
    8.9875   -2.0829    0.1823 H   0  0  0  0  0
   10.3309    0.1924    2.1314 H   0  0  0  0  0
   10.1595    1.2949    4.3439 H   0  0  0  0  0
    8.3138    2.8966    4.7791 H   0  0  0  0  0
    6.6615    3.3880    3.0333 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
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
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 15 16  1  0  0  0
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 21 22  2  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL194994

>  <PubChem CID>
44402509

>  <Formula>
C19H21NO2

>  <Molecular Weight>
295.382000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1CC2C(O1)C3=CC=CC=C3OC4=CC=CC=C24

>  <Isomeric SMILES>
CN(C)C[C@H]1C[C@@H]2[C@@H](O1)C3=CC=CC=C3OC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19+/m1/s1

>  <InChI Key>
KUCRPWOVGMMXDP-AZOIQLNYSA-N

