Molecule Editor

Molecule ID: FYI-1016238 Edit

Molecule Structure InChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1CCc3c(C1)c2ccccc2n3Cc4ccc(C(=O)NO)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016238
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.9312    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4986    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1293    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6967    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4354    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    6.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5680    7.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1987    7.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.3867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2867    0.0000 O   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  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016238-3D
FYIcenter.com

 46 49  0     1  0  0  0  0  0999 V2000
   -5.0209   -0.2239   -2.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1973    0.5895   -0.6499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -0.4497    0.9685 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    2.9958   -0.7130 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9664    0.4123   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762    0.7779    0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600    0.6141   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    2.0853    1.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164    1.7759   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989    3.2070    0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670   -0.7858   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -1.4286    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -0.6923    1.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999   -1.5740   -1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799   -2.8224    0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534    4.1631   -1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -0.5129    1.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9116   -2.9688   -1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161   -3.5811   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577   -1.2552    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882    0.3949    1.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6879   -1.0896   -0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3184    0.5603    1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   -0.1820   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9015   -0.0097   -0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8861    1.5732   -1.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414    1.9057   -0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    4.1613    0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0023    3.2587    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721   -0.0147    2.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -1.7034    2.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819   -1.1114   -1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -3.3158    1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963    4.3567   -0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449    4.0250   -2.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210    5.0574   -1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287   -3.5801   -1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655   -4.6661   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -1.9753   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9055   -1.6819   -1.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6427   -0.2376   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  2  0  0  0  0
  2  5  1  0  0  0  0
  2 46  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5 25  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
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 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 35  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
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$