
 CHEMBL2432049

 42 47  0  0  0  0  0  0  0  0999 V2000
    2.2107    1.4220    0.2031 C   0  0  0  0  0
    2.9229    0.2439   -0.4294 C   0  0  0  0  0
    1.9500   -0.9459   -0.2539 C   0  0  0  0  0
    2.9269   -2.1219   -0.1842 C   0  0  0  0  0
    3.9118   -1.6302    0.8789 C   0  0  0  0  0
    4.0270   -0.1186    0.5889 C   0  0  0  0  0
    3.3618    0.2039    1.9407 C   0  0  0  0  0
    1.9659    0.7114    1.5196 C   0  0  0  0  0
    1.2730   -0.6204    1.1310 C   0  0  0  0  0
    1.7246   -1.5853    2.2496 C   0  0  0  0  0
    3.2375   -1.3082    2.2543 C   0  0  0  0  0
    1.0996   -1.2407    3.5346 N   0  0  0  0  0
    1.3060   -2.2919    4.5435 C   0  0  0  0  0
    0.5857   -1.9364    5.8491 C   0  0  0  0  0
    0.7554   -3.0098    6.8933 C   0  0  0  0  0
    1.9819   -3.1969    7.5285 C   0  0  0  0  0
    2.1000   -4.2010    8.4859 C   0  0  0  0  0
    0.9945   -4.9855    8.7895 C   0  0  0  0  0
   -0.1874   -4.7350    8.1142 C   0  0  0  0  0
   -0.3286   -3.7748    7.1739 N   0  0  0  0  0
    1.2880    1.6968   -0.3165 H   0  0  0  0  0
    2.8619    2.2945    0.3126 H   0  0  0  0  0
    3.2910    0.3845   -1.4479 H   0  0  0  0  0
    1.2132   -1.0243   -1.0580 H   0  0  0  0  0
    3.4360   -2.2646   -1.1445 H   0  0  0  0  0
    2.4496   -3.0683    0.0844 H   0  0  0  0  0
    4.8568   -2.1752    0.9477 H   0  0  0  0  0
    5.0248    0.2954    0.4320 H   0  0  0  0  0
    3.9448    0.8197    2.6284 H   0  0  0  0  0
    1.4530    1.2903    2.2901 H   0  0  0  0  0
    0.1875   -0.5231    1.0267 H   0  0  0  0  0
    1.4848   -2.6218    1.9908 H   0  0  0  0  0
    3.8166   -1.6584    3.1133 H   0  0  0  0  0
    0.0951   -1.1244    3.3910 H   0  0  0  0  0
    2.3781   -2.4115    4.7400 H   0  0  0  0  0
    0.9296   -3.2521    4.1700 H   0  0  0  0  0
   -0.4861   -1.7971    5.6534 H   0  0  0  0  0
    0.9565   -0.9845    6.2497 H   0  0  0  0  0
    2.8350   -2.5714    7.2857 H   0  0  0  0  0
    3.0465   -4.3664    8.9924 H   0  0  0  0  0
    1.0516   -5.7705    9.5345 H   0  0  0  0  0
   -1.0815   -5.3170    8.3181 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  6  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 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 32  1  0  0  0
 11 33  1  0  0  0
 12 13  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  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  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
M  END

>  <Chemical Name>
CHEMBL2432049

>  <PubChem CID>
73347826

>  <Formula>
C18H22N2

>  <Molecular Weight>
266.388000

>  <IUPAC Name>


>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C2C3CC4C2C5C1C3C(C45)NCCC6=CC=CC=N6

>  <Isomeric SMILES>
C1C2C3CC4C2[C@@H](C5C1C3C45)NCCC6=CC=CC=N6

>  <InChI Std. ID>
InChI=1S/C18H22N2/c1-2-5-19-9(3-1)4-6-20-18-15-11-8-12-14-10(11)7-13(15)16(14)17(12)18/h1-3,5,10-18,20H,4,6-8H2/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1

>  <InChI Key>
DUZKXKAAUHDBQA-CAUKCHDASA-N

