Molecule Editor

Molecule ID: FYI-1013230 Edit

Molecule Structure InChIKey: QRIVRMXNAMQQRU-CIAFOILYSA-N

Molecule Structure SMILES String: CCOc4cc(/C=N/NC(=O)C23CC1CC(CC(C1)C2)C3)ccc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013230
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
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    9.3002    4.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0884    2.9109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0178    2.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471    4.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6403    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269    1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    3.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    0.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4947    1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    3.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    4.7653    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  2  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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 16  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  4  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013230-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    5.7901   -4.5748   -6.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4772   -3.0877   -5.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429   -2.9391   -4.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.7853   -4.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226   -0.5267   -4.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6689    0.5882   -3.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1413    1.9335   -4.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102    2.9640   -3.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4541    4.1766   -3.8875 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960    5.2990   -3.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    5.2501   -1.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7325    6.6426   -3.6957 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8604    6.9465   -4.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2757    8.2780   -5.5855 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0944    9.4191   -4.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9624    9.1600   -3.3318 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4375    9.0851   -3.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6353    7.9402   -4.7634 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7549    8.1960   -5.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    6.6080   -4.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491    7.8190   -2.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626    0.4476   -2.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   -0.8015   -2.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -1.9031   -2.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124   -3.1333   -2.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8990   -5.1409   -6.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1093   -4.9753   -5.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -2.7196   -6.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3901   -2.5515   -5.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2642   -0.4013   -5.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6011    2.0049   -5.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727    4.2421   -4.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6544    8.4668   -6.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0394    9.5030   -4.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4104    5.7920   -4.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1471    7.6483   -1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.3076   -1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313   -0.8930   -1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867   -3.0477   -1.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
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  4 24  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
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 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
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 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$