
 CHEMBL394408

 49 51  0  0  0  0  0  0  0  0999 V2000
    8.5141    0.7080   -5.7303 C   0  0  0  0  0
    7.5092    1.5905   -5.0099 C   0  0  0  0  0
    8.0950    2.1749   -3.7289 C   0  0  0  0  0
    7.1236    3.1207   -3.0471 C   0  0  0  0  0
    5.9094    3.0780   -3.2053 O   0  0  0  0  0
    7.7539    4.0163   -2.2153 N   0  0  0  0  0
    7.0217    4.9677   -1.3979 C   0  0  0  0  0
    7.8143    6.2563   -1.1560 C   0  0  0  0  0
    9.0979    6.0158   -0.4156 C   0  0  0  0  0
    9.2497    5.9374    0.9511 C   0  0  0  0  0
   10.5603    5.6356    1.2181 N   0  0  0  0  0
   11.2941    5.5732    0.0534 C   0  0  0  0  0
   12.6705    5.3206   -0.1508 C   0  0  0  0  0
   13.0873    5.2583   -1.5032 C   0  0  0  0  0
   12.2060    5.4334   -2.5680 C   0  0  0  0  0
   10.8614    5.7153   -2.3144 C   0  0  0  0  0
   10.3915    5.7848   -0.9894 C   0  0  0  0  0
   12.5245    5.3592   -3.8981 O   0  0  0  0  0
   13.8444    4.9411   -4.2232 C   0  0  0  0  0
   13.6175    5.1167    0.9639 C   0  0  0  0  0
   13.6033    5.9309    2.1104 C   0  0  0  0  0
   14.4932    5.7187    3.1688 C   0  0  0  0  0
   15.4431    4.7063    3.0876 C   0  0  0  0  0
   15.5002    3.9041    1.9523 C   0  0  0  0  0
   14.5919    4.1022    0.9082 C   0  0  0  0  0
    8.0786    0.3149   -6.6545 H   0  0  0  0  0
    8.8103   -0.1402   -5.1052 H   0  0  0  0  0
    9.4148    1.2723   -5.9937 H   0  0  0  0  0
    6.6099    1.0065   -4.7816 H   0  0  0  0  0
    7.1979    2.4033   -5.6777 H   0  0  0  0  0
    9.0211    2.7157   -3.9589 H   0  0  0  0  0
    8.3375    1.3734   -3.0205 H   0  0  0  0  0
    8.7171    3.8303   -1.9597 H   0  0  0  0  0
    6.7927    4.4658   -0.4508 H   0  0  0  0  0
    6.0707    5.2082   -1.8858 H   0  0  0  0  0
    7.1945    6.9559   -0.5822 H   0  0  0  0  0
    8.0292    6.7434   -2.1152 H   0  0  0  0  0
    8.5325    6.0410    1.7546 H   0  0  0  0  0
   10.9363    5.4751    2.1412 H   0  0  0  0  0
   14.1413    5.0787   -1.6971 H   0  0  0  0  0
   10.1801    5.8668   -3.1469 H   0  0  0  0  0
   13.9132    4.8714   -5.3131 H   0  0  0  0  0
   14.0593    3.9489   -3.8125 H   0  0  0  0  0
   14.5823    5.6773   -3.8891 H   0  0  0  0  0
   12.9053    6.7636    2.1860 H   0  0  0  0  0
   14.4507    6.3537    4.0488 H   0  0  0  0  0
   16.1440    4.5476    3.9029 H   0  0  0  0  0
   16.2505    3.1201    1.8768 H   0  0  0  0  0
   14.6517    3.4459    0.0428 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 17  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 20  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 18 19  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL394408

>  <PubChem CID>
44429454

>  <Formula>
C21H24N2O2

>  <Molecular Weight>
336.435000

>  <IUPAC Name>
N-[2-(5-methoxy-7-phenyl-1H-indol-3-yl)ethyl]butanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC(=O)NCCC1=CNC2=C(C=C(C=C12)OC)C3=CC=CC=C3

>  <Isomeric SMILES>
CCCC(=O)NCCC1=CNC2=C(C=C(C=C12)OC)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H24N2O2/c1-3-7-20(24)22-11-10-16-14-23-21-18(15-8-5-4-6-9-15)12-17(25-2)13-19(16)21/h4-6,8-9,12-14,23H,3,7,10-11H2,1-2H3,(H,22,24)

>  <InChI Key>
FSHZXXWZGMKZSU-UHFFFAOYSA-N

