Molecule FYI-1005693

A

Molecule Summary:

ID: FYI-1005693
Names:
InChIKey: GLNOSFGSNDKLOC-OXQOHEQNSA-N
SMILES: CCN(CC)C(=O)[C@@H]2C=C1c3cccc4[nH]cc(C[C@H]1N(C(C)C)C2)c34

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005693 Edit

Molecule Structure InChIKey: GLNOSFGSNDKLOC-OXQOHEQNSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]2C=C1c3cccc4[nH]cc(C[C@H]1N(C(C)C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005693
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    3.6293    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    6.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    4.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2586    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7968    2.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6179    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7968    4.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8814    6.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    6.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4751    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2586    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  1  0  0  0
 10  9  1  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
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 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 19  9  1  0  0  0  0
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 20  6  1  0  0  0  0
 21 18  2  0  0  0  0
 21 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005693-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -2.4082    1.8018   -1.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -1.8882    0.1388 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.2707   -0.1896    0.2216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0649    1.0085    0.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733   -1.1818   -0.2399 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7141    0.3525    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958   -1.8825    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642   -1.1392   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396    0.2183    0.3891 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5375   -3.2514   -0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -1.0617    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    1.1136   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404    0.9622    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264    0.3245    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014    0.8624    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590    1.0811   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688   -1.3613    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4517   -4.1055    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    2.4828   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095    2.2249   -0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    3.0225   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9295   -1.2687   -1.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5574    0.1784    3.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 43  1  0  0  0  0
  4 16  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
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  8 30  1  0  0  0  0
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 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
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 12 20  1  0  0  0  0
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 15 21  2  0  0  0  0
 17 35  1  0  0  0  0
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 19 40  1  0  0  0  0
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 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 25  1  0  0  0  0
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 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
$$$$

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2023-11-18, 2571👍, 0💬