Molecule Editor

Molecule ID: FYI-1005634 Edit

Molecule Structure InChIKey: LSMFLJBWMCQSKM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1cccc(Cl)c1)C6C3c2ccccc2C=CN3C(C(=O)c4ccccc4Cl)C7c5ccccc5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005634
FYIcenter.com

 40 46  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
 31 26  1  0  0  0  0
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 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 39 34  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005634-3D
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
    2.6123   -0.5707   -1.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -0.6645   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936   -0.3000   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426   -0.4005   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -0.2175   -1.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385    0.0752    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058    0.2322    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357    0.5942    2.9045 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    0.0723    1.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713   -1.1984    0.6197 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8926   -2.7458    0.8575 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5217   -3.3668    1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9605   -4.2062    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2202   -4.9001    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743   -4.7252    1.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3192   -3.9030    2.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -3.2705    2.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599   -2.6491    3.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957   -2.5825    3.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6582   -2.9859    2.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1471   -2.8758    1.9054 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6761   -4.3213    1.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6381   -4.9540    0.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1551   -5.0124    3.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2029   -5.9393    3.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718   -6.2664    1.6394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4716   -2.0576    0.5763 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9358   -1.6594    0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8993   -2.6255    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350   -2.2721   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -0.9441    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3338   -0.3166    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3357    0.7199    0.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0362    0.4071    0.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5491   -0.8603    0.4742 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -0.6495   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -0.3253   -1.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  2  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 44  1  0  0  0  0
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 10 40  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 40  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  2  0  0  0  0
 33 34  2  0  0  0  0
 33 59  1  0  0  0  0
 34 35  1  0  0  0  0
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 35 36  2  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
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 39 64  1  0  0  0  0
M  END
$$$$