
 CHEMBL2203622

 44 46  0  0  0  0  0  0  0  0999 V2000
   -0.8590   -0.0167    0.7736 C   0  0  0  0  0
   -0.5282    0.1229   -0.6226 N   0  0  0  0  0
    0.4475    0.9485   -1.1586 C   0  0  0  0  0
    0.5829    0.4593   -2.4506 C   0  0  0  0  0
   -0.3837   -0.4636   -2.7553 N   0  0  0  0  0
   -1.1090   -0.5715   -1.6624 C   0  0  0  0  0
   -2.2883   -1.1918   -1.5694 O   0  0  0  0  0
   -2.8084   -1.7516   -2.7915 C   0  0  0  0  0
   -4.2998   -1.3900   -3.0118 C   0  0  0  0  0
   -4.4995   -0.1074   -3.8222 C   0  0  0  0  0
   -5.0901    0.9912   -3.2993 C   0  0  0  0  0
   -4.3958    1.6307   -2.1109 C   0  0  0  0  0
   -3.5785    2.9155   -2.3362 C   0  0  0  0  0
   -2.2501    2.7068   -1.6164 C   0  0  0  0  0
   -1.5214    3.8707   -0.9800 C   0  0  0  0  0
   -0.8615    3.3165    0.1834 O   0  0  0  0  0
    0.4955    3.2042    0.0416 C   0  0  0  0  0
    1.2287    4.2680    0.5846 C   0  0  0  0  0
    2.6174    4.2724    0.5124 C   0  0  0  0  0
    3.2761    3.2029   -0.0839 C   0  0  0  0  0
    2.5464    2.1202   -0.5922 C   0  0  0  0  0
    1.1415    2.0854   -0.5268 C   0  0  0  0  0
   -1.5257   -0.8713    0.9109 H   0  0  0  0  0
   -1.3436    0.8926    1.1285 H   0  0  0  0  0
    0.0666   -0.2005    1.3281 H   0  0  0  0  0
    1.2831    0.7912   -3.2073 H   0  0  0  0  0
   -2.7288   -2.8390   -2.6839 H   0  0  0  0  0
   -2.2301   -1.4751   -3.6805 H   0  0  0  0  0
   -4.7767   -2.2004   -3.5758 H   0  0  0  0  0
   -4.8130   -1.3186   -2.0443 H   0  0  0  0  0
   -3.6917    0.0654   -4.5345 H   0  0  0  0  0
   -6.1160    0.8203   -2.9515 H   0  0  0  0  0
   -5.1285    1.8148   -1.3162 H   0  0  0  0  0
   -3.7484    0.8567   -1.6875 H   0  0  0  0  0
   -3.4039    3.1172   -3.3991 H   0  0  0  0  0
   -4.1228    3.7687   -1.9181 H   0  0  0  0  0
   -2.4151    1.9940   -0.8024 H   0  0  0  0  0
   -1.5769    2.2325   -2.3342 H   0  0  0  0  0
   -2.2260    4.6236   -0.6123 H   0  0  0  0  0
   -0.8253    4.3586   -1.6731 H   0  0  0  0  0
    0.7069    5.0977    1.0548 H   0  0  0  0  0
    3.1798    5.1094    0.9175 H   0  0  0  0  0
    4.3611    3.2070   -0.1564 H   0  0  0  0  0
    3.0929    1.2987   -1.0506 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  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2203622

>  <PubChem CID>
71453989

>  <Formula>
C18H22N2O2

>  <Molecular Weight>
298.386000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=CN=C1OCCC=CCCCCOC3=CC=CC=C32

>  <Isomeric SMILES>
CN1C2=CN=C1OCC/C=C\CCCCOC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C18H22N2O2/c1-20-16-14-19-18(20)22-13-9-5-3-2-4-8-12-21-17-11-7-6-10-15(16)17/h3,5-7,10-11,14H,2,4,8-9,12-13H2,1H3/b5-3-

>  <InChI Key>
AGLKQNJMUAORON-HYXAFXHYSA-N

