Molecule Editor

Molecule ID: FYI-1010480 Edit

Molecule Structure InChIKey: XPUWZYDDUVRTPY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1C3(c2ccccc2)CCN(C(=O)NC(C)C(C#N)CC#N)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010480
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.7123    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1249    2.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3545    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3545    3.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9264    3.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7123    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7123    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9264    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0702    6.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0702    7.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    5.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    6.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    7.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    5.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    6.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    3.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    2.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2843    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    3.5047    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  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  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  3  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  3  0  0  0  0
 29 17  1  0  0  0  0
 30 29  1  0  0  0  0
 30  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010480-3D
FYIcenter.com

 58 60  0  0  1  0  0  0  0  0999 V2000
    1.7747   -1.0133   -1.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233   -0.5950   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3228    0.7965   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.3593   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5183    0.5309    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2297   -0.8388    0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446   -1.4630    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -2.9879    0.4865 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1672   -2.7759    1.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -2.7275    3.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -2.5603    4.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0401   -6.0758   -0.1306 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3585   -7.8498   -0.7084 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$