Molecule FYI-1001714

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A

Molecule Summary:

ID: FYI-1001714
SMILES: CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC3=NNN=N3)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001714 Edit

Molecule Structure SMILES String: CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC3=NNN=N3)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001714
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.2070   10.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9091    9.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2070    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9091    7.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2070    6.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8106    5.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5186    4.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3026    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3026    2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5186    1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7347    2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7347    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7781    4.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0640    4.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5186    0.2842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.8705    2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4384    2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2224    1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9396    2.2595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6093    5.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4178    4.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8038    6.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4930    7.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
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 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 21  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001714-3D
FYIcenter.com

 58 61  0  0  1  0  0  0  0  0999 V2000
    3.1899    2.8902    0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.4043    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0131    1.0637   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753   -0.4243   -1.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238   -0.8730   -2.6630 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2279   -2.4228   -2.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9553   -2.9771   -3.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5197   -4.2928   -3.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033   -4.6499   -3.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -3.6481   -4.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9994   -2.3186   -4.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2184   -2.0193   -3.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -0.7475   -3.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969    0.2529   -4.3925 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832   -1.0683   -5.2330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.3027  -11.2178   -5.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8293   -0.4196   -5.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  2  0  0  0  0
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 10 11  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 29  1  0  0  0  0
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 30 58  1  0  0  0  0
M  END
$$$$

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2022-12-02, 588👍, 0💬