Molecule Editor

Molecule ID: FYI-1014005 Edit

Molecule Structure InChIKey: NGXINRHOFCAPJA-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(C2CC(N1CCCC1)CC2c3ccc(F)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014005
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.4250    3.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    5.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    7.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    7.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4199    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3795    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6706    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0424    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    9.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3273    9.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120   10.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2005   11.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361   10.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 15 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014005-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    2.2856   -0.3607   -0.0048 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.1533    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136    0.9020   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680    1.1068   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104    0.2495    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3184    0.3611    0.0248 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9090    0.9134   -1.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4166    1.0600   -0.9929 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3071   -0.0502   -1.3863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0365   -0.6912   -2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6801    0.2116   -3.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9476    0.6750   -3.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7013    0.4346   -1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4985    1.1982    0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480    1.1905    1.1037 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5061    2.5823    1.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    2.7292    2.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387    3.9960    2.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382    5.1250    2.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620    6.3420    2.6397 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5327    5.0100    1.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9556    3.7422    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -0.8003    0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579   -1.0029    0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    1.5522   -1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6413    0.3034   -2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5134    1.9116   -1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7420    1.9917   -1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5391   -1.6677   -2.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9895   -0.9081   -2.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8913   -0.3109   -4.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1502    1.7273   -3.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3807   -0.3444   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6082   -1.8271    1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
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  5 23  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
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 10 31  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 47  1  0  0  0  0
M  END
$$$$