Molecule FYI-1004785

A

Molecule Summary:

ID: FYI-1004785
Names:
InChIKey: HYMZAYGFKNNHDN-SSDVNMTOSA-N
SMILES: COc2cccc(/C=N/N(C(=O)C(F)(F)F)c1ccc(C)cc1C)c2

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004785 Edit

Molecule Structure InChIKey: HYMZAYGFKNNHDN-SSDVNMTOSA-N

Molecule Structure SMILES String: COc2cccc(/C=N/N(C(=O)C(F)(F)F)c1ccc(C)cc1C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004785
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    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
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2995    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004785-3D
FYIcenter.com

 42 43  0     0  0  0  0  0  0999 V2000
    0.2999    3.0518   -0.0833 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    3.8308    1.3492 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546    3.9753   -0.7806 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226    1.7799    0.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1269   -1.8258    0.7048 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4861    0.7094    0.0126 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1554    0.9516   -0.2229 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0081   -0.6308    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -1.4576   -1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0346   -3.2232    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -2.7538   -1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6178   -1.1002    1.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -2.3965    1.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -0.9815   -2.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -4.6104    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161    1.8179    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090    0.1224    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675    0.0178    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9366   -0.9149    0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287    3.1624    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6638    1.2605   -0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9669   -4.9156   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4117   -4.6853    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 16  2  0  0  0  0
  5 22  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 26  1  0  0  0  0
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 13 28  1  0  0  0  0
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 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 3298👍, 0💬