
 Luzindole,N-hexanoyl

 54 56  0  0  0  0  0  0  0  0999 V2000
    9.9508   -1.4342    3.1226 C   0  0  0  0  0
    9.0143   -0.2371    3.1464 C   0  0  0  0  0
    8.8038    0.3397    1.7465 C   0  0  0  0  0
    7.8649    1.5452    1.7820 C   0  0  0  0  0
    7.6562    2.1327    0.3881 C   0  0  0  0  0
    6.8097    3.3846    0.4529 C   0  0  0  0  0
    5.6023    3.3597    0.2188 O   0  0  0  0  0
    7.3900    4.5612    0.8245 N   0  0  0  0  0
    8.8042    4.8596    0.9913 C   0  0  0  0  0
    9.4121    5.4597   -0.2790 C   0  0  0  0  0
   10.8736    5.7456   -0.1201 C   0  0  0  0  0
   11.4683    6.9603    0.1969 C   0  0  0  0  0
   12.8256    6.7480    0.2606 N   0  0  0  0  0
   13.1302    5.4366   -0.0079 C   0  0  0  0  0
   14.3708    4.7889   -0.0453 C   0  0  0  0  0
   14.3806    3.4249   -0.3498 C   0  0  0  0  0
   13.1961    2.7402   -0.6077 C   0  0  0  0  0
   11.9654    3.4053   -0.5656 C   0  0  0  0  0
   11.9275    4.7816   -0.2577 C   0  0  0  0  0
   10.8950    8.3225    0.4473 C   0  0  0  0  0
   10.7368    8.6316    1.9186 C   0  0  0  0  0
   11.8043    9.1622    2.6583 C   0  0  0  0  0
   11.6638    9.4171    4.0239 C   0  0  0  0  0
   10.4576    9.1426    4.6651 C   0  0  0  0  0
    9.3887    8.6198    3.9409 C   0  0  0  0  0
    9.5263    8.3688    2.5749 C   0  0  0  0  0
   10.0845   -1.8306    4.1341 H   0  0  0  0  0
   10.9354   -1.1542    2.7347 H   0  0  0  0  0
    9.5481   -2.2350    2.4943 H   0  0  0  0  0
    9.4318    0.5318    3.8071 H   0  0  0  0  0
    8.0513   -0.5420    3.5723 H   0  0  0  0  0
    8.3874   -0.4320    1.0880 H   0  0  0  0  0
    9.7707    0.6394    1.3241 H   0  0  0  0  0
    8.2687    2.3035    2.4627 H   0  0  0  0  0
    6.8940    1.2479    2.1981 H   0  0  0  0  0
    7.1410    1.4084   -0.2544 H   0  0  0  0  0
    8.6082    2.3545   -0.1040 H   0  0  0  0  0
    6.7355    5.3348    0.8425 H   0  0  0  0  0
    9.3464    3.9578    1.2868 H   0  0  0  0  0
    8.8788    5.5643    1.8247 H   0  0  0  0  0
    8.8728    6.3761   -0.5474 H   0  0  0  0  0
    9.2650    4.7727   -1.1221 H   0  0  0  0  0
   13.5121    7.4537    0.4857 H   0  0  0  0  0
   15.2954    5.3200    0.1553 H   0  0  0  0  0
   15.3280    2.8918   -0.3861 H   0  0  0  0  0
   13.2254    1.6796   -0.8445 H   0  0  0  0  0
   11.0501    2.8593   -0.7712 H   0  0  0  0  0
    9.9251    8.4231   -0.0547 H   0  0  0  0  0
   11.5360    9.0854   -0.0146 H   0  0  0  0  0
   12.7534    9.3819    2.1764 H   0  0  0  0  0
   12.4969    9.8272    4.5890 H   0  0  0  0  0
   10.3508    9.3362    5.7293 H   0  0  0  0  0
    8.4479    8.4051    4.4408 H   0  0  0  0  0
    8.6812    7.9639    2.0247 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 54  1  0  0  0
M  END

>  <Chemical Name>
Luzindole,N-hexanoyl

>  <PubChem CID>
57340104

>  <Formula>
C23H28N2O

>  <Molecular Weight>
348.490000

>  <IUPAC Name>
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

>  <Isomeric SMILES>
CCCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H28N2O/c1-2-3-5-14-23(26)24-16-15-20-19-12-8-9-13-21(19)25-22(20)17-18-10-6-4-7-11-18/h4,6-13,25H,2-3,5,14-17H2,1H3,(H,24,26)

>  <InChI Key>
QZEICWUXNUBJBN-UHFFFAOYSA-N

