Molecule FYI-1005692

A

Molecule Summary:

ID: FYI-1005692
Names:
InChIKey: OLJCMIKHBGOFCT-OXQOHEQNSA-N
SMILES: CCN/C(CC)=[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-1005692 Edit

Molecule Structure InChIKey: OLJCMIKHBGOFCT-OXQOHEQNSA-N

Molecule Structure SMILES String: CCN/C(CC)=[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-1005692
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    1.2097    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194    6.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    4.8892    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.8390    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    2.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8276    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0065    4.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0912    6.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9609    6.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6849    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6781    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    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  5  1  6  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  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  4  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005692-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    9.9934   -0.0184    6.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2666   -0.1745    5.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156    0.7125    5.5320 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    1.5235    4.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5688    2.1585    4.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    2.9604    5.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    1.6432    3.6867 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.0084    0.8159    2.5807 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5452   -0.5556    2.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8616   -1.6533    2.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979   -2.6017    2.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651   -3.0823    3.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0098   -2.6760    3.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1583   -1.8502    3.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5600   -1.5382    1.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0855   -0.6210    0.9943 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0269   -0.4098    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0697   -1.2794    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4714   -1.3770   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5958   -1.4087    0.7919 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5746   -0.2368    0.8796 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8938    0.5306   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6070   -0.3815   -1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4543    0.5796    2.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7445   -2.0324    1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4961    0.9506    6.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8883   -1.2013    5.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9872    0.0019    4.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2971    0.4747    6.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8349    1.3657    4.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097    2.7982    3.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    2.3067    6.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9620    0.9098   -0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5354   -0.7774   -0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9874   -1.2058   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7356    1.5114    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9988    0.0222    2.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  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 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 25  1  0  0  0  0
  8 38  1  6  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 374👍, 0💬