Molecule Editor

Molecule ID: FYI-1002120 Edit

Molecule Structure InChIKey: RLGOMCLKLSMRAG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)c4cccc5c(N1CC2CC1CN2C(=O)NCc3ccc(Br)cc3)cccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1002120
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    8.3172    2.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291    2.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    2.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7527    2.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    2.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881    0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1291    4.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8690    7.4685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4104   13.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3501   14.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4347    8.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5915    9.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4431    6.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    6.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0191    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 32 31  1  0  0  0  0
 32 13  1  0  0  0  0
 33 31  1  0  0  0  0
 33 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002120-3D
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
    1.2674   -2.9368    3.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118   -2.9067    3.6033 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -3.9331    4.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3880   -1.8220    3.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7616   -0.9520    2.3981 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906   -1.7272    3.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838   -2.9276    2.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9469   -2.9727    3.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389   -1.7875    3.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454   -0.4986    3.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8143    0.7258    3.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1944    0.8114    3.3198 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0009    1.8822    2.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4627    1.3585    2.8850 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3183    0.7482    4.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662   -0.1717    3.8406 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8348   -0.9018    2.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6863    0.1427    2.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3680   -0.0649    0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3335   -1.1353    0.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0881    1.0033    0.4747 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9145    0.8738   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$