Molecule Editor

Molecule ID: FYI-1003401 Edit

Molecule Structure InChIKey: LDXYBEHACFJIEL-HNNXBMFYSA-N

Molecule Structure SMILES String: Cc3cc2ncc(C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)cn2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003401
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
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   14.3401    3.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    3.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    1.1659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    1.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6716    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3655    2.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    2.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6406    3.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    5.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  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
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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 15  1  0  0  0  0
 18 15  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  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
 26 27  1  6  0  0  0
 28 27  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003401-3D
FYIcenter.com

 53 55  0     1  0  0  0  0  0999 V2000
    0.6397    1.6833   -4.8473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -1.0746    1.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -0.5508   -5.3492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366    1.5411   -2.3864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720    0.4602    1.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825    0.6814   -8.2874 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1027   -0.7164    5.6114 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    1.5005    5.1567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -1.5507    6.6590 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3046    2.7835   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2020    0.1670   -7.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676   -0.2802    1.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5049    1.2357    3.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9926   -2.2794   -6.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -2.1488   -8.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7172    2.0383    3.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    1.2002    8.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 38  1  0  0  0  0
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  5 21  1  0  0  0  0
  5 47  1  0  0  0  0
  6 20  3  0  0  0  0
  7  9  1  0  0  0  0
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  8 24  2  0  0  0  0
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M  END
$$$$