Molecule Editor

Molecule ID: FYI-1016133 Edit

Molecule Structure InChIKey: ILKIORHURAMVGQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCCCC(=O)NCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016133
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.9389    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893    1.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7348    1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    2.0837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644    1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1185    3.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    5.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4421    2.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8199    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9603    5.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728    6.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8812    7.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735    8.4706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6666    8.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    9.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991   10.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287   11.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444   12.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  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 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016133-3D
FYIcenter.com

 56 56  0     0  0  0  0  0  0999 V2000
    4.6710    0.4793   -1.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0189   -1.5739    0.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372   -0.4043    0.5773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594   -1.8544   -0.9678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    3.1586    0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098    2.7665    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.9797   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    2.1319   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085    2.2167   -0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0512    1.6328    0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778    2.1973    0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5367   -3.1143    0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209   -2.3494   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150   -2.1371   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0613    1.9952    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3338    0.6222   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$