Molecule FYI-1003337

A

Molecule Summary:

ID: FYI-1003337
Names:
InChIKey: GUXJRQNFMUDSRU-UHFFFAOYSA-N
SMILES: CC(C)C(C(=O)NC(=O)C(F)(F)F)n3cc(c2ccc1cc(OC(F)(F)F)ccc1c2)nn3

Received at FYIcenter.com on: 2023-06-01

Molecule ID: FYI-1003337 Edit

Molecule Structure InChIKey: GUXJRQNFMUDSRU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C(C(=O)NC(=O)C(F)(F)F)n3cc(c2ccc1cc(OC(F)(F)F)ccc1c2)nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003337
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    6.0621   13.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.7424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    9.5195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3783    5.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   11.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   11.0424    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746   12.9548    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 28  9  1  0  0  0  0
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 30  2  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003337-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    0.7133   -0.2983    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340   -0.1222    1.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231   -0.1713    3.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -1.1806    0.8339 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6461   -0.9941   -0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.1389   -1.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -2.1524   -1.3869 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -2.1789   -2.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6383   -1.1951   -3.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -3.5751   -3.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -4.5080   -2.4851 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558   -4.0089   -3.7200 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761   -3.6370   -4.4655 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -1.1431    0.9531 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2620   -0.0640    1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5321   -0.5941    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7707    0.1672    1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7834    1.5070    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    2.2513    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700    1.6751    1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3591    2.4228    1.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706    1.8588    1.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6433    2.6934    1.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6754    2.5732    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4694    1.6083    3.2757 F   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7888    3.7492    3.0104 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9940   -1.4608    1.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 2762👍, 0💬