Molecule Editor

Molecule ID: FYI-1004465 Edit

Molecule Structure InChIKey: KJLUSHJANJZUJA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)Nc5cccc(NC(=O)c1cccc2c1ccn2C(=O)c3cc(Br)cc4[nH]ccc34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004465
FYIcenter.com

 38 42  0  0  0  0  0  0  0  0999 V2000
    9.1870   16.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994   14.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871   13.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   15.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   14.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9459    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    3.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8942    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4502    5.9562    0.0000 Br  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
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  9  8  1  0  0  0  0
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 30 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004465-3D
FYIcenter.com

 63 67  0  0  0  0  0  0  0  0999 V2000
    3.8548    2.1834    0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5560   -0.0093   -0.1699 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1766   -0.5810   -2.3714 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4575   -1.1025   -2.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2995   -1.5110   -1.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6049   -1.9111   -1.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6736   -1.7029   -5.5712 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9332   -2.0997   -6.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9153   -2.3410   -5.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0513   -2.3382   -7.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9952   -3.2747   -7.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0207   -3.6766   -9.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0465   -3.2398  -10.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546   -2.3716   -9.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$