Molecule Editor

Molecule ID: FYI-1002678 Edit

Molecule Structure InChIKey: UVXGMRHVNQYKMX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN6CCC(n5cc(c3c(c1coc2ccccc12)c(=O)[nH]c3=O)c4ccc(Br)cc45)CC6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002678
FYIcenter.com

 33 38  0  0  0  0  0  0  0  0999 V2000
   11.5676    7.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1428    7.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9303    6.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9303    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3552    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179    4.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4140   10.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4773    9.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099    8.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    8.1838    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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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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 33 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002678-3D
FYIcenter.com

 55 60  0  0  0  0  0  0  0  0999 V2000
   -2.4545    0.2323    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564    0.1561    0.4888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -1.1254    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0462   -1.2023    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7868    0.0238   -1.8893 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0832    0.0125   -4.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824    0.0098   -5.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$