
 CHEMBL233311

 43 45  0  0  0  0  0  0  0  0999 V2000
    6.2569   -0.0530   -3.7281 C   0  0  0  0  0
    5.2999    0.5729   -2.7492 C   0  0  0  0  0
    4.0851    0.5289   -2.8956 O   0  0  0  0  0
    5.9297    1.2057   -1.7017 N   0  0  0  0  0
    5.1804    1.9876   -0.7325 C   0  0  0  0  0
    5.9189    2.1449    0.5998 C   0  0  0  0  0
    7.1800    2.9493    0.4823 C   0  0  0  0  0
    7.2808    4.3237    0.5368 C   0  0  0  0  0
    8.5913    4.6653    0.3479 N   0  0  0  0  0
    9.3777    3.5393    0.2156 C   0  0  0  0  0
   10.7728    3.4060    0.0305 C   0  0  0  0  0
   11.2466    2.0834   -0.1309 C   0  0  0  0  0
   10.3978    0.9786   -0.1201 C   0  0  0  0  0
    9.0343    1.1507    0.1176 C   0  0  0  0  0
    8.5068    2.4471    0.2759 C   0  0  0  0  0
   10.7939   -0.3193   -0.3050 O   0  0  0  0  0
   11.9745   -0.4970   -1.0815 C   0  0  0  0  0
   11.6891    4.5623   -0.0176 C   0  0  0  0  0
   12.7001    4.6351   -0.9947 C   0  0  0  0  0
   13.5922    5.7103   -1.0449 C   0  0  0  0  0
   13.4821    6.7480   -0.1260 C   0  0  0  0  0
   12.4921    6.7018    0.8513 C   0  0  0  0  0
   11.6150    5.6131    0.9127 C   0  0  0  0  0
    5.7474   -0.8519   -4.2742 H   0  0  0  0  0
    7.1142   -0.4878   -3.2062 H   0  0  0  0  0
    6.6030    0.7071   -4.4331 H   0  0  0  0  0
    6.9127    1.4268   -1.8113 H   0  0  0  0  0
    4.2149    1.4996   -0.5585 H   0  0  0  0  0
    4.9802    2.9634   -1.1899 H   0  0  0  0  0
    6.1485    1.1559    1.0150 H   0  0  0  0  0
    5.2515    2.6370    1.3184 H   0  0  0  0  0
    6.5277    5.0883    0.6774 H   0  0  0  0  0
    8.9434    5.6119    0.3088 H   0  0  0  0  0
   12.3170    1.9369   -0.2468 H   0  0  0  0  0
    8.3820    0.2824    0.1556 H   0  0  0  0  0
   12.0433   -1.5561   -1.3475 H   0  0  0  0  0
   12.8661   -0.2409   -0.5010 H   0  0  0  0  0
   11.9330    0.0777   -2.0139 H   0  0  0  0  0
   12.8036    3.8455   -1.7361 H   0  0  0  0  0
   14.3716    5.7328   -1.8022 H   0  0  0  0  0
   14.1724    7.5866   -0.1661 H   0  0  0  0  0
   12.4097    7.5072    1.5767 H   0  0  0  0  0
   10.8831    5.5860    1.7171 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 16 17  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233311

>  <PubChem CID>
44429452

>  <Formula>
C19H20N2O2

>  <Molecular Weight>
308.381000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C19H20N2O2/c1-13(22)20-9-8-15-12-21-19-17(14-6-4-3-5-7-14)10-16(23-2)11-18(15)19/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)

>  <InChI Key>
ZTVQTJJYIPYWHJ-UHFFFAOYSA-N

