
 CHEMBL124382

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.2081   -0.7436    2.6453 C   0  0  0  0  0
    3.1662   -0.1502    1.3047 N   0  0  0  0  0
    1.7728   -0.0204    0.8719 C   0  0  0  0  0
    3.8634    1.1521    1.3173 C   0  0  0  0  0
    4.0702    1.7588   -0.0815 C   0  0  0  0  0
    4.8375    3.0625   -0.0009 C   0  0  0  0  0
    6.2475    3.1472   -0.1074 C   0  0  0  0  0
    7.2875    2.1948   -0.3347 C   0  0  0  0  0
    8.4994    2.8619   -0.3692 C   0  0  0  0  0
    8.2195    4.1815   -0.0896 N   0  0  0  0  0
    6.8669    4.3880    0.0280 C   0  0  0  0  0
    6.1615    5.5735    0.2543 C   0  0  0  0  0
    4.7734    5.4867    0.3471 C   0  0  0  0  0
    4.1244    4.2596    0.2276 C   0  0  0  0  0
    9.8627    2.4201   -0.5833 C   0  0  0  0  0
   10.8182    3.0920   -0.1963 O   0  0  0  0  0
   10.1553    1.1570   -1.3172 C   0  0  0  0  0
    9.3604    0.7180   -2.3837 C   0  0  0  0  0
    9.7044   -0.4418   -3.0823 C   0  0  0  0  0
   10.8484   -1.1576   -2.7306 C   0  0  0  0  0
   11.6546   -0.7158   -1.6824 C   0  0  0  0  0
   11.3125    0.4410   -0.9795 C   0  0  0  0  0
    4.2438   -0.8994    2.9669 H   0  0  0  0  0
    2.7309   -1.7302    2.6457 H   0  0  0  0  0
    2.7049   -0.1167    3.3907 H   0  0  0  0  0
    1.2615   -0.9889    0.9239 H   0  0  0  0  0
    1.7103    0.2944   -0.1742 H   0  0  0  0  0
    1.2131    0.6943    1.4863 H   0  0  0  0  0
    4.8566    1.0122    1.7658 H   0  0  0  0  0
    3.3311    1.8643    1.9624 H   0  0  0  0  0
    3.1126    1.9503   -0.5793 H   0  0  0  0  0
    4.6131    1.0520   -0.7206 H   0  0  0  0  0
    7.1469    1.1292   -0.4659 H   0  0  0  0  0
    8.9295    4.8977   -0.0108 H   0  0  0  0  0
    6.6689    6.5271    0.3552 H   0  0  0  0  0
    4.1909    6.3886    0.5211 H   0  0  0  0  0
    3.0395    4.2323    0.3159 H   0  0  0  0  0
    8.4873    1.2810   -2.7024 H   0  0  0  0  0
    9.0872   -0.7791   -3.9117 H   0  0  0  0  0
   11.1193   -2.0542   -3.2826 H   0  0  0  0  0
   12.5550   -1.2653   -1.4183 H   0  0  0  0  0
   11.9556    0.7891   -0.1735 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  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL124382

>  <PubChem CID>
11833220

>  <Formula>
C19H20N2O

>  <Molecular Weight>
292.382000

>  <IUPAC Name>
[4-[2-(dimethylamino)ethyl]-1H-indol-2-yl]-phenylmethanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC1=C2C=C(NC2=CC=C1)C(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CCC1=C2C=C(NC2=CC=C1)C(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H20N2O/c1-21(2)12-11-14-9-6-10-17-16(14)13-18(20-17)19(22)15-7-4-3-5-8-15/h3-10,13,20H,11-12H2,1-2H3

>  <InChI Key>
AMEZLRKIJOOPNJ-UHFFFAOYSA-N

