Molecule Editor

Molecule ID: FYI-1004468 Edit

Molecule Structure InChIKey: BVDQRPXUUVZHDF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)Nc4cccc(NC(=O)c3cccc(NC(=O)c1cc(Br)cc2[nH]ccc12)c3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004468
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   12.3206   15.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206   14.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330   13.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9206   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4082   14.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1958   14.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1958   12.6888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7708   14.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5946    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708   12.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004468-3D
FYIcenter.com

 61 64  0  0  0  0  0  0  0  0999 V2000
    2.9757    1.0201    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.4234    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8718   -2.2945   -1.8252 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2423   -2.6157   -1.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1187   -2.4672   -0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795   -2.6675   -1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6457   -3.9629   -4.5087 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8921   -4.5890   -4.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3438   -5.0832   -5.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9015   -4.5210   -7.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3683   -6.0241   -8.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8479   -6.5848   -7.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$