Molecule Editor

Molecule ID: FYI-1003316 Edit

Molecule Structure InChIKey: AYGXAJMQFLIUJO-WKILWMFISA-N

Molecule Structure SMILES String: Cc2nc(N[C@@H]1CC[C@@H](O)CC1)ccc2c3ccc(O)c(C#N)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003316
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
   14.5492    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   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
    2.4249    4.9000    0.0000 C   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
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    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003316-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    2.6796    0.1347   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873   -0.0435   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5053    1.1519   -0.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    1.1626   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775    2.3227    0.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    3.6141    0.6525 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4492    4.5423   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566    4.3115   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050    4.1620    1.0484 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9545    5.4669    1.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271    3.3449    2.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853    3.5508    2.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5309   -0.0315   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.2468   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5578   -1.3043   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296   -2.6421   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 29  1  1  0  0  0
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  8  9  1  0  0  0  0
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M  END
$$$$