
 GNF-Pf-2017

 57 59  0  0  0  0  0  0  0  0999 V2000
    1.8667    5.5997    6.6977 C   0  0  0  0  0
    3.3575    5.6541    6.4085 C   0  0  0  0  0
    3.6509    5.5386    4.9112 C   0  0  0  0  0
    5.1561    5.5824    4.6496 C   0  0  0  0  0
    5.4866    5.4962    3.1585 C   0  0  0  0  0
    7.0011    5.5245    2.9515 C   0  0  0  0  0
    7.3920    5.4884    1.4730 C   0  0  0  0  0
    8.9149    5.5107    1.3294 C   0  0  0  0  0
    9.3564    5.5451   -0.1355 C   0  0  0  0  0
   10.8350    5.5956   -0.2219 N   0  0  0  0  0
   11.6324    4.4180   -0.1987 C   0  0  0  0  0
   12.9803    4.4513   -0.0429 C   0  0  0  0  0
   13.8624    3.2338    0.0507 C   0  0  0  0  0
   13.0857    1.9420    0.2843 C   0  0  0  0  0
   11.8747    1.8861   -0.6285 C   0  0  0  0  0
   10.9413    3.0709   -0.3707 C   0  0  0  0  0
   13.6794    5.7745    0.0730 C   0  0  0  0  0
   14.9657    5.8419    0.2145 N   0  0  0  0  0
   12.8182    6.9652    0.0135 C   0  0  0  0  0
   11.4958    6.8192   -0.1236 C   0  0  0  0  0
   10.8278    8.1630   -0.1296 C   0  0  0  0  0
   11.9984    9.1347   -0.3077 C   0  0  0  0  0
   13.2531    8.3792    0.1241 C   0  0  0  0  0
    1.6882    5.6910    7.7732 H   0  0  0  0  0
    1.4369    4.6517    6.3610 H   0  0  0  0  0
    1.3396    6.4160    6.1948 H   0  0  0  0  0
    3.8580    4.8420    6.9487 H   0  0  0  0  0
    3.7637    6.5967    6.7936 H   0  0  0  0  0
    3.1570    6.3579    4.3744 H   0  0  0  0  0
    3.2358    4.5998    4.5241 H   0  0  0  0  0
    5.6408    4.7538    5.1798 H   0  0  0  0  0
    5.5694    6.5117    5.0598 H   0  0  0  0  0
    5.0226    6.3355    2.6268 H   0  0  0  0  0
    5.0723    4.5729    2.7363 H   0  0  0  0  0
    7.4546    4.6698    3.4685 H   0  0  0  0  0
    7.4133    6.4317    3.4106 H   0  0  0  0  0
    6.9560    6.3515    0.9549 H   0  0  0  0  0
    6.9871    4.5847    1.0012 H   0  0  0  0  0
    9.3388    4.6304    1.8266 H   0  0  0  0  0
    9.3145    6.3842    1.8580 H   0  0  0  0  0
    8.9149    6.4132   -0.6384 H   0  0  0  0  0
    8.9503    4.6820   -0.6720 H   0  0  0  0  0
   14.4376    3.1478   -0.8798 H   0  0  0  0  0
   14.5838    3.3423    0.8692 H   0  0  0  0  0
   13.7374    1.0797    0.1041 H   0  0  0  0  0
   12.7622    1.8856    1.3315 H   0  0  0  0  0
   11.3291    0.9479   -0.4764 H   0  0  0  0  0
   12.2030    1.8966   -1.6757 H   0  0  0  0  0
   10.3523    2.8636    0.5310 H   0  0  0  0  0
   10.2472    3.1114   -1.2177 H   0  0  0  0  0
   15.2760    6.8135    0.2783 H   0  0  0  0  0
   10.3123    8.3443    0.8196 H   0  0  0  0  0
   10.1164    8.2814   -0.9524 H   0  0  0  0  0
   11.8564   10.0580    0.2636 H   0  0  0  0  0
   12.0833    9.4190   -1.3647 H   0  0  0  0  0
   13.5253    8.6186    1.1576 H   0  0  0  0  0
   14.0952    8.6178   -0.5323 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  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 49  1  0  0  0
 16 50  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 18 51  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 22 55  1  0  0  0
 23 56  1  0  0  0
 23 57  1  0  0  0
M  END

>  <Chemical Name>
GNF-Pf-2017

>  <PubChem CID>
1919229

>  <Formula>
C21H34N2

>  <Molecular Weight>
314.517000

>  <IUPAC Name>
4-nonyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine

>  <XlogP>
6.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCCCCN1C2=C(CCCC2)C(=N)C3=C1CCC3

>  <Isomeric SMILES>
CCCCCCCCCN1C2=C(CCCC2)C(=N)C3=C1CCC3

>  <InChI Std. ID>
InChI=1S/C21H34N2/c1-2-3-4-5-6-7-10-16-23-19-14-9-8-12-17(19)21(22)18-13-11-15-20(18)23/h22H,2-16H2,1H3

>  <InChI Key>
DBKXHMVYXBVNRD-UHFFFAOYSA-N

