
 CHEMBL243002

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.3983   -0.4226   -1.3970 C   0  0  0  0  0
    2.8372   -0.1834   -1.0238 C   0  0  0  0  0
    3.6986   -1.0415   -1.1786 O   0  0  0  0  0
    3.0875    1.0775   -0.5327 N   0  0  0  0  0
    4.4045    1.4434   -0.0371 C   0  0  0  0  0
    4.6887    2.9819   -0.0821 C   0  0  0  0  0
    4.6355    3.4152   -1.5832 C   0  0  0  0  0
    5.2521    4.7829   -1.8889 C   0  0  0  0  0
    6.6599    4.9114   -1.3285 C   0  0  0  0  0
    6.6825    4.6067    0.1623 C   0  0  0  0  0
    6.1363    3.2079    0.4444 C   0  0  0  0  0
    3.6617    3.7263    0.7988 C   0  0  0  0  0
    2.7551    4.7041    0.3905 C   0  0  0  0  0
    2.0312    5.1001    1.4709 N   0  0  0  0  0
    1.0052    6.1255    1.5716 C   0  0  0  0  0
    0.0134    5.8172    2.7121 C   0  0  0  0  0
    0.7091    5.4790    4.0518 C   0  0  0  0  0
    1.8075    4.4770    3.8393 C   0  0  0  0  0
    2.3461    3.6592    4.8325 C   0  0  0  0  0
    3.3902    2.7800    4.5355 C   0  0  0  0  0
    3.9300    2.6973    3.2385 C   0  0  0  0  0
    3.4131    3.5190    2.2143 C   0  0  0  0  0
    2.3860    4.3742    2.5720 C   0  0  0  0  0
    0.7571    0.4154   -1.1103 H   0  0  0  0  0
    1.0417   -1.3217   -0.8875 H   0  0  0  0  0
    1.3307   -0.5588   -2.4798 H   0  0  0  0  0
    2.3068    1.6357   -0.2073 H   0  0  0  0  0
    5.1579    0.9056   -0.6264 H   0  0  0  0  0
    4.4743    1.0475    0.9809 H   0  0  0  0  0
    3.6051    3.3974   -1.9603 H   0  0  0  0  0
    5.1843    2.6755   -2.1832 H   0  0  0  0  0
    5.2778    4.9305   -2.9751 H   0  0  0  0  0
    4.6304    5.5878   -1.4850 H   0  0  0  0  0
    7.3296    4.2213   -1.8567 H   0  0  0  0  0
    7.0393    5.9234   -1.5082 H   0  0  0  0  0
    7.7130    4.6748    0.5298 H   0  0  0  0  0
    6.1005    5.3587    0.7076 H   0  0  0  0  0
    6.8113    2.4827   -0.0309 H   0  0  0  0  0
    6.2037    3.0166    1.5203 H   0  0  0  0  0
    2.5787    5.1528   -0.5774 H   0  0  0  0  0
    1.5254    7.0723    1.7556 H   0  0  0  0  0
    0.4845    6.1831    0.6106 H   0  0  0  0  0
   -0.6685    6.6634    2.8521 H   0  0  0  0  0
   -0.6025    4.9581    2.4128 H   0  0  0  0  0
    1.1385    6.3883    4.4880 H   0  0  0  0  0
   -0.0348    5.0835    4.7527 H   0  0  0  0  0
    1.9540    3.7011    5.8458 H   0  0  0  0  0
    3.7963    2.1461    5.3208 H   0  0  0  0  0
    4.7406    2.0018    3.0482 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 22  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL243002

>  <PubChem CID>
16743464

>  <Formula>
C20H26N2O

>  <Molecular Weight>
310.441000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=O)NCC1(CCCCC1)C2=CN3CCCC4=CC=CC2=C43

>  <Isomeric SMILES>
CC(=O)NCC1(CCCCC1)C2=CN3CCCC4=CC=CC2=C43

>  <InChI Std. ID>
InChI=1S/C20H26N2O/c1-15(23)21-14-20(10-3-2-4-11-20)18-13-22-12-6-8-16-7-5-9-17(18)19(16)22/h5,7,9,13H,2-4,6,8,10-12,14H2,1H3,(H,21,23)

>  <InChI Key>
YIGCYAJXYJBOOS-UHFFFAOYSA-N

