
 CHEMBL89738

 41 44  0  0  0  0  0  0  0  0999 V2000
   -3.2365    0.6697    0.3048 C   0  0  0  0  0
   -2.6805   -0.3743    1.2706 C   0  0  0  0  0
   -2.4819   -1.7825    0.7037 C   0  0  0  0  0
   -1.5551   -1.9346   -0.5053 C   0  0  0  0  0
   -0.2460   -1.2128   -0.3427 C   0  0  0  0  0
    0.0081    0.1499   -0.3726 C   0  0  0  0  0
   -0.9136    1.3176   -0.6216 C   0  0  0  0  0
   -2.3849    1.0424   -0.9111 C   0  0  0  0  0
    1.4008    0.3157   -0.0802 C   0  0  0  0  0
    1.9931   -0.9489    0.0216 C   0  0  0  0  0
    0.9686   -1.8664   -0.1422 N   0  0  0  0  0
    1.0882   -3.3153   -0.1975 C   0  0  0  0  0
    2.3863   -3.9859    0.2453 C   0  0  0  0  0
    3.5935   -3.5001   -0.4130 N   0  0  0  0  0
    4.1657   -2.3845    0.3302 C   0  0  0  0  0
    3.3894   -1.0916    0.2366 C   0  0  0  0  0
    4.1287    0.0999    0.4321 C   0  0  0  0  0
    3.5486    1.3572    0.3618 C   0  0  0  0  0
    2.1920    1.4731    0.0876 C   0  0  0  0  0
   -3.4085    1.5878    0.8825 H   0  0  0  0  0
   -4.2253    0.3492   -0.0461 H   0  0  0  0  0
   -3.3883   -0.4565    2.1067 H   0  0  0  0  0
   -1.7526   -0.0121    1.7275 H   0  0  0  0  0
   -3.4623   -2.1990    0.4402 H   0  0  0  0  0
   -2.0960   -2.4110    1.5174 H   0  0  0  0  0
   -1.4079   -3.0064   -0.6759 H   0  0  0  0  0
   -2.0537   -1.6048   -1.4192 H   0  0  0  0  0
   -0.8421    2.0129    0.2245 H   0  0  0  0  0
   -0.5097    1.8522   -1.4928 H   0  0  0  0  0
   -2.8173    1.9647   -1.3238 H   0  0  0  0  0
   -2.5016    0.3126   -1.7154 H   0  0  0  0  0
    0.2933   -3.7220    0.4390 H   0  0  0  0  0
    0.8722   -3.5940   -1.2367 H   0  0  0  0  0
    2.4824   -3.9500    1.3378 H   0  0  0  0  0
    2.2980   -5.0514   -0.0011 H   0  0  0  0  0
    3.3867   -3.1836   -1.3608 H   0  0  0  0  0
    4.3186   -2.6445    1.3852 H   0  0  0  0  0
    5.1663   -2.2187   -0.0891 H   0  0  0  0  0
    5.1970    0.0394    0.6387 H   0  0  0  0  0
    4.1507    2.2485    0.5107 H   0  0  0  0  0
    1.7399    2.4579    0.0174 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL89738

>  <PubChem CID>
10037962

>  <Formula>
C17H22N2

>  <Molecular Weight>
254.377000

>  <IUPAC Name>


>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCCC2=C(CC1)C3=C4N2CCNCC4=CC=C3

>  <Isomeric SMILES>
C1CCCC2=C(CC1)C3=C4N2CCNCC4=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H22N2/c1-2-4-9-16-14(7-3-1)15-8-5-6-13-12-18-10-11-19(16)17(13)15/h5-6,8,18H,1-4,7,9-12H2

>  <InChI Key>
FEOKYCHGJRHIDE-UHFFFAOYSA-N

