Molecule Editor

Molecule ID: FYI-1013242 Edit

Molecule Structure InChIKey: LDXDVDAUAIFYPU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc3ccc2N=C(C(=O)NCCN(CC)CC)C(Cc1ccc(Cl)cc1)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013242
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003    5.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4158    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    4.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3099    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0187    6.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6873    6.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3963    8.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367    9.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7681    8.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0591    7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1456   10.6069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6283    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6283    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8406    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0530    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2653    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4781    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9029    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4781    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013242-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    0.9643   -0.8008   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   -0.9452   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837   -0.1577   -1.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3395   -0.2152   -1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390   -0.9438   -0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077   -0.9442   -0.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658   -0.2221   -2.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4077   -0.0593   -2.4144 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3726    0.7558   -3.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6168    1.3666   -4.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5001    2.1868   -4.9288 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    0.9806   -3.4410 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0545    1.5778   -3.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3129    1.0964   -3.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6400   -0.3488   -3.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7076   -0.8602   -4.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8406   -0.3279   -5.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8679   -0.6037   -2.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2927   -2.0677   -2.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802    1.1670   -3.9322 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6418    0.6282   -5.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.0665   -5.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    2.4310   -5.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.8524   -6.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6199    1.9106   -6.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9832    2.4328   -6.3070 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9155    0.5503   -6.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1792    0.4981   -2.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8200    0.5253   -2.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476   -1.3881    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
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  4 30  2  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
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 27 58  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
$$$$