Molecule FYI-1002752

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A

Molecule Summary:

ID: FYI-1002752
Names:
InChIKey: WUVDTBFXOMMUGQ-UHFFFAOYSA-N
SMILES: CNC26C1C5C4C1C2(c3ccccc3)C4C56

Received at FYIcenter.com on: 2023-04-20

Molecule ID: FYI-1002752 Edit

Molecule Structure InChIKey: WUVDTBFXOMMUGQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC26C1C5C4C1C2(c3ccccc3)C4C56

Download SDF Download SVG Structure in 2D SDF:

FYI-1002752
FYIcenter.com

 16 21  0  0  0  0  0  0  0  0999 V2000
    5.0036    4.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    3.5278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1380    2.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1779    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1805    1.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1876    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1873    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645    1.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686    0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959    2.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780    2.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002752-3D
FYIcenter.com

 31 36  0  0  1  0  0  0  0  0999 V2000
    3.0658    1.2336   -0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -0.0264    0.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805   -0.4066    1.3467 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5662    0.4457    2.6082 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0930    0.2672    3.0666 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6892   -1.0313    3.7781 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2239   -0.8631    3.3417 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4974   -1.6821    2.0516 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6330   -2.8434    1.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -2.9097    1.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -3.9764    1.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534   -5.0168    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207   -4.9881    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -3.9191    0.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9707   -1.8511    2.5106 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3746   -0.5862    1.7385 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7263    1.4995   -1.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1587    1.1706   -0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7756    2.0538    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309   -0.7350   -0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981    1.3653    2.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7328    1.0479    3.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033   -1.3168    4.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736   -0.9884    4.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437   -2.1079    2.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6046   -3.9886    1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5505   -5.8460    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8937   -5.7974   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611   -3.9271    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289   -2.7799    2.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305   -0.4935    1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$

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2023-04-25, 2644👍, 0💬