Molecule Editor

Molecule ID: FYI-1005118 Edit

Molecule Structure InChIKey: SBALADRDZPFHLM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCc2cc(=O)c1ccccc1n2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005118
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   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  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  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005118-3D
FYIcenter.com

 55 56  0     0  0  0  0  0  0999 V2000
   -3.0514    1.7103   -1.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5257   -2.6365    0.9397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    0.6168   -0.6726 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -0.2909   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4721   -0.0898    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -0.3323   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8371   -0.0737   -0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -0.5459   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    0.1170    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984   -0.5125   -0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3365    0.1013   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597   -0.7360   -1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4655    0.3247    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967   -0.6343   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8341    0.2758    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627   -1.7373   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6407   -0.3118    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1361    2.9235   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4127   -1.0176    1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4808    1.2006    1.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
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  2 20  2  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
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  5 27  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
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 11 13  1  0  0  0  0
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 12 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  2  0  0  0  0
 15 19  1  0  0  0  0
 15 45  1  0  0  0  0
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 17 18  1  0  0  0  0
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 24 55  1  0  0  0  0
M  END
$$$$