Molecule Editor

Molecule ID: FYI-1005581 Edit

Molecule Structure InChIKey: ZEPZQVZBOSXUFI-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(=O)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005581
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    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
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  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
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  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  1  0  0  0  0
 20 19  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 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005581-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.4010    0.9640   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398    0.4892   -1.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478    1.4136   -1.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    1.1017   -1.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389    1.8814   -1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2574    1.6051   -2.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    0.4472   -3.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3121    2.4274   -2.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    3.5917   -1.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041    4.3013   -1.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    3.8379   -0.8244 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316    2.9867   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9309    3.3152   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    2.5361   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6847    2.8808    0.6657 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    4.1563    1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4587    5.2833    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531    6.5596    0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    6.7326    1.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373    5.6300    2.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011    4.3503    2.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3814    3.2067    3.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163    2.0783    2.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756    3.3871    4.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    4.3387    5.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    4.4611    6.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585    3.6218    7.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    2.6607    6.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267    2.5408    5.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431    0.2011   -1.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565    1.8928   -1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0803    1.0626   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.2209   -2.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904   -0.1746   -3.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057   -0.2049   -3.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5947    0.8088   -4.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2452    2.2702   -2.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    4.1696    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    2.1167    1.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9351    5.1733   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462    7.4110    0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    7.7213    2.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    5.7889    3.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    4.9837    4.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7939    5.2030    7.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3578    3.7085    8.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    1.9978    7.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0438    1.7813    5.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
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 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$