Molecule Editor

Molecule ID: FYI-1006075 Edit

Molecule Structure InChIKey: VLMJWSVJQMZYSE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)c1ccc3c(c1)c(OCC2CCCCC2)nn3Cc4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006075
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
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    9.1432    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    6.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    7.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    8.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    9.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711   11.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787   10.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1093    9.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9322    8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    5.9561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6474    4.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6391    0.0000    0.0000 O   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  1  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
 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  7  1  0  0  0  0
 16 15  2  0  0  0  0
 16  5  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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25  6  1  0  0  0  0
 26 25  2  0  0  0  0
 26  3  1  0  0  0  0
 27  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006075-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
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    3.4786    4.9715   -0.6405 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3062    5.1936   -0.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -0.6641    1.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -0.7737    1.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3146    4.5093   -0.5697 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.0556    0.0626    0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0604   -1.0374    0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2272    0.4924   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4960   -0.6136    0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6641    0.9138   -1.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6606   -0.1787   -0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6248   -0.4046    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013    0.4306    0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    1.3120    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051    0.5630    0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -1.8010    1.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378    2.6407   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047    1.0686    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    3.1672   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2769   -2.8491    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    2.3928    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341   -3.7302    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775   -2.9371   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6352   -3.9062   -1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923   -4.7873   -1.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2496    0.9432    1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9734   -1.2825    1.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307   -1.9547    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479   -0.3333   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5607    1.3302   -1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1781   -1.4436    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5175   -1.0445   -1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9737    0.4726    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    2.7907    0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -3.6774    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972   -2.2559   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803   -5.3862   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698   -3.9745   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153   -5.5420   -2.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
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  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 13  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  2  0  0  0  0
 18 43  1  0  0  0  0
 19 22  2  0  0  0  0
 19 44  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$