
 CHEMBL341326

 46 50  0  0  0  0  0  0  0  0999 V2000
   -0.7207    1.2107    0.9856 C   0  0  0  0  0
   -0.1348    0.2420    1.9959 C   0  0  0  0  0
    1.3016    0.0822    1.5392 C   0  0  0  0  0
    1.1645    0.0528    0.0801 N   0  0  0  0  0
    0.1737    1.0900   -0.2457 C   0  0  0  0  0
    2.4544    0.2277   -0.6419 C   0  0  0  0  0
    3.5119   -0.8681   -0.2458 C   0  0  0  0  0
    3.0066   -2.2592   -0.6955 C   0  0  0  0  0
    2.8147   -2.2741   -2.2294 C   0  0  0  0  0
    3.2281   -0.9052   -2.8240 C   0  0  0  0  0
    2.2719    0.1751   -2.2186 C   0  0  0  0  0
    2.4297    1.5349   -2.8835 C   0  0  0  0  0
    3.5411    2.3593   -2.8465 C   0  0  0  0  0
    3.2836    3.4805   -3.5845 N   0  0  0  0  0
    2.0103    3.4295   -4.0963 C   0  0  0  0  0
    1.3263    4.3563   -4.8926 C   0  0  0  0  0
    0.0190    4.0426   -5.2708 C   0  0  0  0  0
   -0.5746    2.8495   -4.8719 C   0  0  0  0  0
    0.1268    1.9320   -4.0801 C   0  0  0  0  0
    1.4485    2.2230   -3.6774 C   0  0  0  0  0
    4.6480   -0.6455   -2.3554 C   0  0  0  0  0
    4.7903   -0.6034   -1.0208 C   0  0  0  0  0
   -1.7663    0.9715    0.7668 H   0  0  0  0  0
   -0.6815    2.2340    1.3773 H   0  0  0  0  0
   -0.6625   -0.7183    1.9428 H   0  0  0  0  0
   -0.2104    0.6146    3.0219 H   0  0  0  0  0
    1.9051    0.9347    1.8741 H   0  0  0  0  0
    1.7304   -0.8409    1.9410 H   0  0  0  0  0
    0.6352    2.0631   -0.4490 H   0  0  0  0  0
   -0.4205    0.7981   -1.1172 H   0  0  0  0  0
    2.8706    1.2047   -0.3535 H   0  0  0  0  0
    3.7310   -0.8589    0.8267 H   0  0  0  0  0
    3.7341   -3.0320   -0.4125 H   0  0  0  0  0
    2.0678   -2.5231   -0.1951 H   0  0  0  0  0
    3.4185   -3.0795   -2.6667 H   0  0  0  0  0
    1.7695   -2.4982   -2.4717 H   0  0  0  0  0
    3.1742   -0.9237   -3.9178 H   0  0  0  0  0
    1.2537   -0.1702   -2.4412 H   0  0  0  0  0
    4.5001    2.2388   -2.3620 H   0  0  0  0  0
    3.9307    4.2420   -3.7325 H   0  0  0  0  0
    1.7888    5.2858   -5.2059 H   0  0  0  0  0
   -0.5409    4.7433   -5.8878 H   0  0  0  0  0
   -1.5930    2.6231   -5.1775 H   0  0  0  0  0
   -0.3506    1.0054   -3.7787 H   0  0  0  0  0
    5.4577   -0.4829   -3.0549 H   0  0  0  0  0
    5.7328   -0.4108   -0.5244 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL341326

>  <PubChem CID>
44351289

>  <Formula>
C20H24N2

>  <Molecular Weight>
292.426000

>  <IUPAC Name>
3-(3-pyrrolidin-1-yl-2-bicyclo[2.2.2]oct-5-enyl)-1H-indole

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCN(C1)C2C3CCC(C2C4=CNC5=CC=CC=C54)C=C3

>  <Isomeric SMILES>
C1CCN(C1)C2C3CCC(C2C4=CNC5=CC=CC=C54)C=C3

>  <InChI Std. ID>
InChI=1S/C20H24N2/c1-2-6-18-16(5-1)17(13-21-18)19-14-7-9-15(10-8-14)20(19)22-11-3-4-12-22/h1-2,5-7,9,13-15,19-21H,3-4,8,10-12H2

>  <InChI Key>
QSYOYDXUQCIZDG-UHFFFAOYSA-N

