Molecule Editor

Molecule ID: FYI-1003209 Edit

Molecule Structure InChIKey: QTNZYOJKTXXWML-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1cccc(F)c1)N(Cc2ccc(F)cc2)CC4CC(c3ccccc3)=NO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003209
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0623   10.0834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8856    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4933    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.2834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 28 22  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003209-3D
FYIcenter.com

 50 53  0     1  0  0  0  0  0999 V2000
   -5.4552   -3.8062    1.8007 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    5.3029   -0.5172 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963   -0.6960   -2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727    1.9717   -1.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.3606   -0.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1557   -1.5033   -1.6784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.4023   -1.2548 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1712    0.0680   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2879    0.5823   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115   -0.8003   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.7218   -1.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4504   -2.6027   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -2.6620    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$