Molecule Editor

Molecule ID: FYI-1015944 Edit

Molecule Structure InChIKey: HFYDSFHQXIJOCT-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)Cc1cc(C(C)(C)C)cc(CN(C)C)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015944
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.4497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   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
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   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
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015944-3D
FYIcenter.com

 47 47  0     0  0  0  0  0  0999 V2000
    1.7515    1.7227    0.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135    2.7807   -0.2268 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5729    0.0436   -0.2322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -2.4107   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -1.2847    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604   -3.4779    0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -3.0672   -1.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4326   -1.9340   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818   -1.6062    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271   -0.0095    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996   -0.5850    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5094    1.0118    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541    0.7240    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059    2.4070    0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -0.9127    0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569    2.6947   -1.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    4.1295    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1852    0.0551   -1.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9919   -0.2812   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -2.6227    0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798    0.2411    0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342   -3.0362    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790   -3.9637    1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6866   -2.3270   -2.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6735   -3.5448   -1.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054   -1.2014   -0.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7507   -1.4994    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1080   -2.7756   -0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4421    2.4580    1.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    3.1331    0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466   -0.9091    1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9361   -1.9318    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381    1.3615    1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006    1.6716   -1.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996    3.0274   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661    3.3229   -1.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044    4.3917   -0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9602    4.1874    1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    4.8864   -0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8348    0.7363   -2.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2677   -0.9373   -2.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688    0.4271   -1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918   -0.2566    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330   -1.2709   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6087    0.4622   -0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 35  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  4  8  1  0  0  0  0
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  6 22  1  0  0  0  0
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  7 27  1  0  0  0  0
  8 28  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 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
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 18 44  1  0  0  0  0
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 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
M  END
$$$$