Molecule FYI-1009329

A

Molecule Summary:

ID: FYI-1009329
Names:
InChIKey: OWEJUGZFHYHAKV-UHFFFAOYSA-N
SMILES: CCN3CCN(C2C=CC(CNC(=O)NCC1C=CN=CC1)=CN2)CC3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009329 Edit

Molecule Structure InChIKey: OWEJUGZFHYHAKV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN3CCN(C2C=CC(CNC(=O)NCC1C=CN=CC1)=CN2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009329
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   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
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  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 12  2  0  0  0  0
 26 25  1  0  0  0  0
 26  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009329-3D
FYIcenter.com

 56 58  0  0  1  0  0  0  0  0999 V2000
    0.7214   -0.0252    0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2116    0.2789    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304   -0.2617   -0.8561 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677   -1.7275   -0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186   -2.4608   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737   -2.0732   -0.6215 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6347   -2.6587   -1.8990 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6020   -4.1830   -1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -4.9117   -2.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960   -4.2166   -3.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575   -4.6405   -3.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7850   -5.5479   -4.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756   -5.5606   -4.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3934   -4.7793   -4.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757   -6.5697   -5.4117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841   -6.7074   -6.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998   -5.7749   -7.3479 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0225   -6.0553   -8.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860   -6.3885   -9.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5288   -6.5061  -10.1675 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9283   -3.0138   -3.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2725   -0.6069   -0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1435    0.3014   -0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -0.0868    1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3099    1.3707    0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -1.9705   -1.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2065    0.1547   -2.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2150    1.2561   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
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  8 37  1  0  0  0  0
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 10 23  2  0  0  0  0
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 17 22  1  0  0  0  0
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 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1171👍, 0💬