Molecule FYI-1008317

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A

Molecule Summary:

ID: FYI-1008317
Names:
InChIKey: ZRPIIQFTZUBLHR-UHFFFAOYSA-N
SMILES: CC(=O)CC(=O)Nc1nccc(C)n1

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008317 Edit

Molecule Structure InChIKey: ZRPIIQFTZUBLHR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CC(=O)Nc1nccc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008317
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008317-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    0.9954   -1.6924   -0.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628   -0.0188    1.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079    0.5820   -0.5080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209   -0.6636   -0.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950    1.7426   -0.1714 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987   -0.0693   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696   -0.5008   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803    0.5520   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    0.0986    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8445   -0.6553    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6011    0.4952    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870    0.4349    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4972   -1.9820    0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163    1.6769    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    0.8752   -1.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653   -0.8346   -1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885    1.5177   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6626    0.4830    0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4692   -0.3612   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868    0.5254    1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0703    1.3860   -0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720   -2.7961    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9367   -2.0446    1.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -2.1353   -0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4266    2.6328    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1394👍, 0💬