Molecule Editor

Molecule ID: FYI-1003867 Edit

Molecule Structure InChIKey: KWBJOXMIZOPOLR-UHFFFAOYSA-N

Molecule Structure SMILES String: C(=Cc1ccccc1)=C4CCCC=C(NCN3CC2=C(CCC2)N3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003867
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
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   11.3315    2.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9595    2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5201    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4527    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2642    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    6.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450    7.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7256    8.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3443    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2985    7.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3756    6.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620    5.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484    6.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7349    5.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    6.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    5.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178    4.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    3.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    5.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5885    4.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335    5.7987    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  1  2  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  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  2  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
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 25  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003867-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
    0.9830    0.0210   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139    0.0721   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    0.3752   -1.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053    0.6164   -2.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    0.9096   -3.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672    0.9614   -3.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2801    0.7180   -2.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    0.4303   -1.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2913    0.0001   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760   -1.2406    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0354   -1.0578    1.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5158   -0.1256    2.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6097    1.3529    2.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978    1.9636    0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904    3.3215    0.7898 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    4.4270    1.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317    5.7292    0.8710 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645    6.7933    1.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    6.8888    1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    6.1349    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3311    5.9795   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450    6.6487    0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2244    5.5403   -0.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.2504   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7967    1.0975   -4.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3632    0.7544   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0023    0.2403   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423   -1.5525   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904   -2.0684    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1935    8.5579    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1742    4.5943   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5210    1.9467   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  4 27  1  0  0  0  0
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  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 25  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
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 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
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 21 22  1  0  0  0  0
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 25 52  1  0  0  0  0
M  END
$$$$