Molecule FYI-1000980

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Molecule Summary:

ID: FYI-1000980
SMILES: S=C1S/C(=C/c2ccccc2C)C(=O)N1CCN(CC)CC

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000980 Edit

Molecule Structure SMILES String: S=C1S/C(=C/c2ccccc2C)C(=O)N1CCN(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000980
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1473    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    7.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787    9.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710    9.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681    5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15  2  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  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000980-3D
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
    2.6236    0.2915    0.1770 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593    0.1758    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    1.6134    0.0785 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5136    0.6914    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7397    1.2272    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9704    0.4273    0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6012    0.1045   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7172   -0.7322   -1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2109   -1.2514    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5969   -0.9273    1.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4772   -0.0815    1.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8328    0.2304    2.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806   -0.7559   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922   -1.6327   -0.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783   -0.9588    0.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -2.3337   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3223   -2.9164    1.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5475   -2.9346    2.5323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689   -3.5857    2.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736   -5.0901    2.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4053   -3.5272    3.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093   -3.5591    4.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8864    2.3022    0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2061    0.4727   -2.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1863   -0.9963   -2.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0682   -1.9191    0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9912   -1.3531    2.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4027   -0.1953    3.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7901    1.3133    2.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8219   -0.1870    2.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232   -2.3532   -0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247   -3.0061   -0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419   -2.3544    1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466   -3.9350    1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533   -3.0943    1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459   -3.3891    3.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -5.3877    1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7581   -5.3995    1.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5739   -5.6517    3.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3271   -2.9356    3.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -4.5458    3.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993   -2.5627    5.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -3.9225    5.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455   -4.2374    5.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

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2022-04-02, 2748👍, 0💬