
 Luzindole,N-butanoyl

 48 50  0  0  0  0  0  0  0  0999 V2000
    3.8420    5.7896    2.2638 C   0  0  0  0  0
    4.7102    5.9468    1.0261 C   0  0  0  0  0
    5.5943    7.1854    1.1181 C   0  0  0  0  0
    6.3845    7.3747   -0.1594 C   0  0  0  0  0
    5.9177    7.9704   -1.1243 O   0  0  0  0  0
    7.6281    6.7876   -0.1467 N   0  0  0  0  0
    8.5510    6.8903   -1.2649 C   0  0  0  0  0
    8.9977    5.5234   -1.7860 C   0  0  0  0  0
    9.9232    4.7915   -0.8540 C   0  0  0  0  0
    9.5842    3.7804    0.0353 C   0  0  0  0  0
   10.7410    3.3469    0.6373 N   0  0  0  0  0
   11.8272    4.0275    0.1444 C   0  0  0  0  0
   13.1894    3.8778    0.4332 C   0  0  0  0  0
   14.0893    4.7106   -0.2368 C   0  0  0  0  0
   13.6411    5.6589   -1.1525 C   0  0  0  0  0
   12.2753    5.7919   -1.4312 C   0  0  0  0  0
   11.3462    4.9564   -0.7763 C   0  0  0  0  0
    8.2667    3.1410    0.3492 C   0  0  0  0  0
    7.8929    1.9456   -0.5046 C   0  0  0  0  0
    8.6895    1.4562   -1.5514 C   0  0  0  0  0
    8.2809    0.3552   -2.3073 C   0  0  0  0  0
    7.0695   -0.2721   -2.0311 C   0  0  0  0  0
    6.2646    0.2002   -0.9978 C   0  0  0  0  0
    6.6730    1.3000   -0.2407 C   0  0  0  0  0
    3.2104    4.9004    2.1746 H   0  0  0  0  0
    3.1879    6.6573    2.3968 H   0  0  0  0  0
    4.4565    5.6817    3.1631 H   0  0  0  0  0
    4.0667    6.0120    0.1402 H   0  0  0  0  0
    5.3290    5.0511    0.8987 H   0  0  0  0  0
    6.2786    7.1083    1.9711 H   0  0  0  0  0
    4.9906    8.0871    1.2768 H   0  0  0  0  0
    7.9775    6.3684    0.7050 H   0  0  0  0  0
    9.4064    7.4798   -0.9181 H   0  0  0  0  0
    8.0768    7.4444   -2.0822 H   0  0  0  0  0
    9.5158    5.6656   -2.7430 H   0  0  0  0  0
    8.1201    4.9024   -2.0039 H   0  0  0  0  0
   10.7987    2.5935    1.3086 H   0  0  0  0  0
   13.5417    3.1361    1.1424 H   0  0  0  0  0
   15.1550    4.6131   -0.0425 H   0  0  0  0  0
   14.3577    6.2972   -1.6638 H   0  0  0  0  0
   11.9414    6.5270   -2.1569 H   0  0  0  0  0
    7.4762    3.8940    0.2483 H   0  0  0  0  0
    8.2696    2.8253    1.4012 H   0  0  0  0  0
    9.6378    1.9270   -1.8030 H   0  0  0  0  0
    8.9102   -0.0065   -3.1163 H   0  0  0  0  0
    6.7516   -1.1250   -2.6239 H   0  0  0  0  0
    5.3159   -0.2850   -0.7838 H   0  0  0  0  0
    6.0267    1.6577    0.5584 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  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 17  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
Luzindole,N-butanoyl

>  <PubChem CID>
53317949

>  <Formula>
C21H24N2O

>  <Molecular Weight>
320.436000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C21H24N2O/c1-2-8-21(24)22-14-13-18-17-11-6-7-12-19(17)23-20(18)15-16-9-4-3-5-10-16/h3-7,9-12,23H,2,8,13-15H2,1H3,(H,22,24)

>  <InChI Key>
LACXBJPBVGHRGD-UHFFFAOYSA-N

