
 DH 97

 51 53  0  0  0  0  0  0  0  0999 V2000
    5.4340    3.6602   -8.0066 C   0  0  0  0  0
    5.1014    4.7469   -6.9970 C   0  0  0  0  0
    5.8172    4.5229   -5.6643 C   0  0  0  0  0
    5.4583    5.6131   -4.6586 C   0  0  0  0  0
    6.0981    5.3604   -3.3099 C   0  0  0  0  0
    5.4772    4.8616   -2.3775 O   0  0  0  0  0
    7.4230    5.7274   -3.2321 N   0  0  0  0  0
    8.1663    5.6290   -1.9838 C   0  0  0  0  0
    7.9333    6.8449   -1.0834 C   0  0  0  0  0
    8.6797    6.7907    0.2180 C   0  0  0  0  0
    8.1269    6.6451    1.4854 C   0  0  0  0  0
    9.1508    6.7512    2.3974 N   0  0  0  0  0
   10.3592    6.8854    1.7599 C   0  0  0  0  0
   11.6493    6.9927    2.2933 C   0  0  0  0  0
   12.7146    7.1075    1.3964 C   0  0  0  0  0
   12.4930    7.1249    0.0223 C   0  0  0  0  0
   11.1935    7.0360   -0.4917 C   0  0  0  0  0
   10.1001    6.9071    0.3909 C   0  0  0  0  0
    6.6991    6.4502    1.9150 C   0  0  0  0  0
    6.5265    5.6959    3.2184 C   0  0  0  0  0
    5.8687    6.2907    4.3047 C   0  0  0  0  0
    5.6942    5.5887    5.4990 C   0  0  0  0  0
    6.1774    4.2871    5.6216 C   0  0  0  0  0
    6.8317    3.6843    4.5491 C   0  0  0  0  0
    6.9994    4.3812    3.3518 C   0  0  0  0  0
    4.9045    3.8428   -8.9475 H   0  0  0  0  0
    5.1347    2.6746   -7.6358 H   0  0  0  0  0
    6.5072    3.6372   -8.2197 H   0  0  0  0  0
    4.0166    4.7662   -6.8377 H   0  0  0  0  0
    5.3844    5.7213   -7.4118 H   0  0  0  0  0
    6.9020    4.5030   -5.8242 H   0  0  0  0  0
    5.5426    3.5418   -5.2569 H   0  0  0  0  0
    4.3725    5.6609   -4.5124 H   0  0  0  0  0
    5.7717    6.5973   -5.0263 H   0  0  0  0  0
    7.8427    6.2264   -4.0059 H   0  0  0  0  0
    9.2223    5.5379   -2.2570 H   0  0  0  0  0
    7.8743    4.7078   -1.4665 H   0  0  0  0  0
    6.8591    6.9578   -0.8920 H   0  0  0  0  0
    8.2310    7.7560   -1.6191 H   0  0  0  0  0
    9.0365    6.6980    3.4007 H   0  0  0  0  0
   11.8224    6.9842    3.3648 H   0  0  0  0  0
   13.7298    7.1850    1.7793 H   0  0  0  0  0
   13.3358    7.2080   -0.6590 H   0  0  0  0  0
   11.0385    7.0560   -1.5653 H   0  0  0  0  0
    6.1477    5.9027    1.1407 H   0  0  0  0  0
    6.2292    7.4394    1.9895 H   0  0  0  0  0
    5.4773    7.3026    4.2256 H   0  0  0  0  0
    5.1737    6.0538    6.3321 H   0  0  0  0  0
    6.0371    3.7394    6.5499 H   0  0  0  0  0
    7.2040    2.6671    4.6410 H   0  0  0  0  0
    7.5048    3.8960    2.5187 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  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  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 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
DH 97

>  <PubChem CID>
3467177

>  <Formula>
C22H26N2O

>  <Molecular Weight>
334.463000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)

>  <InChI Key>
HDOIPCLEKCEANF-UHFFFAOYSA-N

