
 CHEMBL2205833

 38 44  0  0  0  0  0  0  0  0999 V2000
   -2.1266   -0.5782   -1.5671 C   0  0  0  0  0
   -1.7848    0.8704   -0.6429 C   0  0  0  0  0
   -1.9000    0.1759    0.6122 C   0  0  0  0  0
   -1.3830   -1.3192    0.5521 C   0  0  0  0  0
   -1.0630   -1.5904   -0.8793 C   0  0  0  0  0
    0.4600   -0.9391   -0.8351 C   0  0  0  0  0
    0.0347    0.9245    0.0172 C   0  0  0  0  0
    1.1457    1.1805   -0.8386 C   0  0  0  0  0
   -0.4970    0.6133   -0.5328 C   0  0  0  0  0
   -0.0024   -0.8011    0.9250 C   0  0  0  0  0
    1.3269   -1.0253    0.2914 C   0  0  0  0  0
    2.1289    0.1790   -0.1280 N   0  0  0  0  0
    2.8520    0.8058    0.9864 C   0  0  0  0  0
    3.9708   -0.0480    1.5246 C   0  0  0  0  0
    3.9736   -0.4689    2.8514 C   0  0  0  0  0
    4.9484   -1.2222    3.4094 N   0  0  0  0  0
    5.9678   -1.5861    2.6035 C   0  0  0  0  0
    6.0622   -1.2247    1.2698 C   0  0  0  0  0
    5.0497   -0.4396    0.7259 C   0  0  0  0  0
    1.9473   -2.2516    0.4242 O   0  0  0  0  0
   -3.1592   -0.8898   -1.3700 H   0  0  0  0  0
   -1.9546   -0.4372   -2.6392 H   0  0  0  0  0
   -2.3544    1.8036   -0.7865 H   0  0  0  0  0
   -1.9124    0.7042    1.5707 H   0  0  0  0  0
   -1.8491   -2.0602    1.1977 H   0  0  0  0  0
   -1.0977   -2.6311   -1.2023 H   0  0  0  0  0
    0.9061   -0.9075   -1.8508 H   0  0  0  0  0
    0.2070    1.2699    1.1243 H   0  0  0  0  0
    1.3436    2.2475   -0.6967 H   0  0  0  0  0
   -0.4441    0.5191   -1.8286 H   0  0  0  0  0
    0.0661   -0.5020    1.9861 H   0  0  0  0  0
    2.1825    1.0916    1.8051 H   0  0  0  0  0
    3.3121    1.7385    0.6338 H   0  0  0  0  0
    3.1659   -0.2066    3.5298 H   0  0  0  0  0
    6.7327   -2.1970    3.0740 H   0  0  0  0  0
    6.9048   -1.5470    0.6689 H   0  0  0  0  0
    5.0958   -0.1399   -0.3184 H   0  0  0  0  0
    2.8467   -2.1085    0.0841 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2205833

>  <PubChem CID>
71461344

>  <Formula>
C17H18N2O

>  <Molecular Weight>
266.344000

>  <IUPAC Name>


>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2C3C4C1C5C2C6C3C4C5(N6CC7=CN=CC=C7)O

>  <Isomeric SMILES>
C1C2C3C4C1C5C2C6C3C4C5(N6CC7=CN=CC=C7)O

>  <InChI Std. ID>
InChI=1S/C17H18N2O/c20-17-14-9-4-8-10-11(9)15(17)13(10)16(12(8)14)19(17)6-7-2-1-3-18-5-7/h1-3,5,8-16,20H,4,6H2

>  <InChI Key>
DCGVCGVBZDMLGR-UHFFFAOYSA-N

