
 CHEMBL233740

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.8403    0.2176    1.6018 C   0  0  0  0  0
    2.2169    1.5583    1.3129 C   0  0  0  0  0
    1.0100    1.6715    1.1187 O   0  0  0  0  0
    2.9980    2.6746    1.2998 N   0  0  0  0  0
    4.4397    2.7654    1.4331 C   0  0  0  0  0
    5.1569    2.4704    0.1145 C   0  0  0  0  0
    6.6431    2.5008    0.2593 C   0  0  0  0  0
    7.4553    1.4299    0.5574 C   0  0  0  0  0
    8.7536    1.8706    0.6127 N   0  0  0  0  0
    8.8282    3.2041    0.2430 C   0  0  0  0  0
    9.9167    4.0865    0.0177 C   0  0  0  0  0
    9.5936    5.4410   -0.2193 C   0  0  0  0  0
    8.2837    5.9055   -0.2513 C   0  0  0  0  0
    7.2309    5.0038   -0.1251 C   0  0  0  0  0
    7.4979    3.6386    0.1210 C   0  0  0  0  0
    8.1430    7.2510   -0.4612 O   0  0  0  0  0
    6.9393    7.8256    0.0374 C   0  0  0  0  0
   11.3191    3.6548   -0.0285 C   0  0  0  0  0
   11.7524    2.7075   -0.9712 C   0  0  0  0  0
   13.0921    2.3166   -1.0374 C   0  0  0  0  0
   14.0266    2.8871   -0.1771 C   0  0  0  0  0
   13.6221    3.8446    0.7499 C   0  0  0  0  0
   12.2791    4.2230    0.8246 C   0  0  0  0  0
    9.8359    1.0329    1.0841 C   0  0  0  0  0
    3.9110    0.1924    1.4018 H   0  0  0  0  0
    2.3701   -0.5317    0.9577 H   0  0  0  0  0
    2.6635   -0.0381    2.6489 H   0  0  0  0  0
    2.4786    3.5193    1.0850 H   0  0  0  0  0
    4.7669    2.0841    2.2248 H   0  0  0  0  0
    4.6629    3.7855    1.7672 H   0  0  0  0  0
    4.8414    3.1957   -0.6464 H   0  0  0  0  0
    4.8532    1.4905   -0.2739 H   0  0  0  0  0
    7.2106    0.3943    0.7588 H   0  0  0  0  0
   10.3969    6.1556   -0.3912 H   0  0  0  0  0
    6.2005    5.3249   -0.2206 H   0  0  0  0  0
    7.0581    8.9133    0.0250 H   0  0  0  0  0
    6.7479    7.5238    1.0735 H   0  0  0  0  0
    6.0912    7.5750   -0.6074 H   0  0  0  0  0
   11.0394    2.2711   -1.6686 H   0  0  0  0  0
   13.4056    1.5766   -1.7691 H   0  0  0  0  0
   15.0716    2.5943   -0.2367 H   0  0  0  0  0
   14.3519    4.3044    1.4112 H   0  0  0  0  0
   11.9830    4.9762    1.5523 H   0  0  0  0  0
   10.5302    1.6298    1.6781 H   0  0  0  0  0
   10.3236    0.5774    0.2206 H   0  0  0  0  0
    9.4239    0.2480    1.7259 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 15  1  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
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233740

>  <PubChem CID>
44429455

>  <Formula>
C20H22N2O2

>  <Molecular Weight>
322.408000

>  <IUPAC Name>
N-[2-(5-methoxy-1-methyl-7-phenylindol-3-yl)ethyl]acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CN(C2=C(C=C(C=C12)OC)C3=CC=CC=C3)C

>  <Isomeric SMILES>
CC(=O)NCCC1=CN(C2=C(C=C(C=C12)OC)C3=CC=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C20H22N2O2/c1-14(23)21-10-9-16-13-22(2)20-18(15-7-5-4-6-8-15)11-17(24-3)12-19(16)20/h4-8,11-13H,9-10H2,1-3H3,(H,21,23)

>  <InChI Key>
SOBHFXJHDYZLFG-UHFFFAOYSA-N

