Molecule FYI-1000312

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Molecule Summary:

ID: FYI-1000312
SMILES: C/C(=C\\C(=O)Nc1ccc(F)cc1)NNC(=O)c1cnccn1

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000312 Edit

Molecule Structure SMILES String: C/C(=CC(=O)Nc1ccc(F)cc1)NNC(=O)c1cnccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000312
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    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
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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  4  1  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  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  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 22  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000312-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.1806    0.3982   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557    0.0457   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464   -1.2126   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -2.4407    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226   -2.4191    0.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -3.5736   -0.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265   -4.8594   -0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -5.0599   -0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -6.3471   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510   -7.4418   -0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7407   -8.6782   -0.4013 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -7.2688   -0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577   -5.9761   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4961    1.1548    0.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.5098   -0.9633 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5028    2.8657   -1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8179    3.7324   -0.6759 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5647    3.2084   -2.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8267    4.5392   -2.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7600    4.9082   -3.4010 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    3.8891   -4.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1538    2.5588   -3.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2324    2.1780   -2.7901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986   -0.4494   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753    1.0049   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9068    0.9833    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -1.3654   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -3.5133   -0.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529   -4.2251   -0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -6.4918   -0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -8.1429   -0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316   -5.8638   -0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9575    1.9933    0.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542    0.8456   -1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940    5.3505   -2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1478    4.1724   -4.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6863    1.7584   -4.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  3  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2188👍, 0💬