
 CHEMBL396501

 42 44  0  0  0  0  0  0  0  0999 V2000
   10.0619   -2.1271    5.7626 C   0  0  0  0  0
    9.3378   -0.8148    5.5087 C   0  0  0  0  0
    9.6539   -0.2618    4.1219 C   0  0  0  0  0
    8.8985    1.0203    3.8197 C   0  0  0  0  0
    8.1528    1.5797    4.6178 O   0  0  0  0  0
    9.1264    1.4782    2.5399 N   0  0  0  0  0
    8.5557    2.7214    2.0547 C   0  0  0  0  0
    9.4137    3.9471    2.3814 C   0  0  0  0  0
   10.7875    3.8933    1.7754 C   0  0  0  0  0
   11.0940    3.7366    0.4272 C   0  0  0  0  0
   12.4495    3.7203    0.3102 N   0  0  0  0  0
   13.2736    3.5474   -0.8748 C   0  0  0  0  0
   14.6789    4.1579   -0.6855 C   0  0  0  0  0
   15.3539    3.7487    0.6451 C   0  0  0  0  0
   14.4048    3.9342    1.7927 C   0  0  0  0  0
   14.7746    4.1049    3.1280 C   0  0  0  0  0
   13.8017    4.2383    4.1251 C   0  0  0  0  0
   12.4292    4.1883    3.8202 C   0  0  0  0  0
   12.0336    4.0029    2.4822 C   0  0  0  0  0
   13.0343    3.8839    1.5362 C   0  0  0  0  0
    9.8297   -2.5010    6.7647 H   0  0  0  0  0
   11.1466   -1.9981    5.6906 H   0  0  0  0  0
    9.7578   -2.8892    5.0379 H   0  0  0  0  0
    9.6261   -0.0860    6.2754 H   0  0  0  0  0
    8.2578   -0.9734    5.6122 H   0  0  0  0  0
    9.3862   -1.0020    3.3580 H   0  0  0  0  0
   10.7271   -0.0552    4.0376 H   0  0  0  0  0
    9.9174    1.1041    2.0314 H   0  0  0  0  0
    7.5587    2.8482    2.4918 H   0  0  0  0  0
    8.4318    2.6084    0.9722 H   0  0  0  0  0
    9.4911    4.0547    3.4702 H   0  0  0  0  0
    8.9072    4.8472    2.0117 H   0  0  0  0  0
   10.4526    3.6301   -0.4382 H   0  0  0  0  0
   13.3408    2.4686   -1.0546 H   0  0  0  0  0
   12.7591    4.0200   -1.7177 H   0  0  0  0  0
   15.3212    3.8782   -1.5281 H   0  0  0  0  0
   14.5866    5.2524   -0.7057 H   0  0  0  0  0
   15.6531    2.6950    0.6013 H   0  0  0  0  0
   16.2558    4.3530    0.7939 H   0  0  0  0  0
   15.8265    4.1414    3.4012 H   0  0  0  0  0
   14.1098    4.3829    5.1584 H   0  0  0  0  0
   11.6911    4.2937    4.6094 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL396501

>  <PubChem CID>
16742969

>  <Formula>
C17H22N2O

>  <Molecular Weight>
270.376000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCC(=O)NCCC1=CN2CCCC3=CC=CC1=C32

>  <Isomeric SMILES>
CCCC(=O)NCCC1=CN2CCCC3=CC=CC1=C32

>  <InChI Std. ID>
InChI=1S/C17H22N2O/c1-2-5-16(20)18-10-9-14-12-19-11-4-7-13-6-3-8-15(14)17(13)19/h3,6,8,12H,2,4-5,7,9-11H2,1H3,(H,18,20)

>  <InChI Key>
QSUPUDMSFQTYGP-UHFFFAOYSA-N

