Molecule Editor

Molecule ID: FYI-1003627 Edit

Molecule Structure InChIKey: HADQKPUFYSOBGJ-QGOAFFKASA-N

Molecule Structure SMILES String: Cc3[nH]c(C=c1c(=O)[nH]c2ccc(F)cc12)c(C)c3C(=O)NCCCN4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003627
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.4905    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4105    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7421    4.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6939    8.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8265    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1055    8.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2381    7.5641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2518    9.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1192   10.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8403   10.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5613   10.6022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2322    9.7082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1453    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8139    4.1737    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 18  1  0  0  0  0
 28 27  2  0  0  0  0
 29 16  2  0  0  0  0
 29 12  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003627-3D
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
    2.5747    0.6163    0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126    0.3323   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7108   -0.9851    0.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   -1.0863    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240   -2.3350    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8361   -3.5825    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -4.1164    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6164   -3.4855    0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4435   -5.4980    0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8922   -5.8796    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3918   -7.1700    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826   -7.3183    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6154   -6.1906    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9443   -6.3605    0.0648 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1021   -4.8988    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -4.7574    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529    0.2080   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0356    1.1280   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1806    2.5992   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$