Molecule FYI-1003861

A

Molecule Summary:

ID: FYI-1003861
Names:
InChIKey: PLXGARSVUDJEGX-XVZLYUHWSA-N
SMILES: C[C@H]([C@H]2C=CCC(c1ccccc1)=C2)[C@H]4NC(=O)C3C=CC=CC=C34

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003861 Edit

Molecule Structure InChIKey: PLXGARSVUDJEGX-XVZLYUHWSA-N

Molecule Structure SMILES String: C[C@H]([C@H]2C=CCC(c1ccccc1)=C2)[C@H]4NC(=O)C3C=CC=CC=C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003861
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
    6.0622    4.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584    5.1072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    4.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953    1.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0839    0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4440    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5514    0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    2.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    3.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  4  2  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15  2  1  0  0  0  0
 15 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  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 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 25 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003861-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    1.5658   -0.4905    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945   -1.7475   -0.3457 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1142   -1.4741   -1.8014 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2862   -0.8858   -1.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5718    0.2949   -2.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488    1.1822   -3.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    0.5632   -3.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285    1.3171   -3.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    1.0794   -5.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061    1.8359   -5.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    2.8318   -5.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5035    3.0639   -4.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    2.3068   -3.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215   -0.6202   -2.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546   -3.0184    0.2927 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4767   -3.2591    1.6069 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651   -3.0471    2.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453   -3.1239    3.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.6684    2.0052 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9030   -3.2444    2.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114   -4.0547    2.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -4.5903    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995   -4.4669    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135   -3.8781   -0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340   -3.1385    0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    0.3058    0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932   -0.6897    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.1017    0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6661   -2.0030   -0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0822   -2.4348   -2.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037   -1.4586   -1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6008    0.6475   -2.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904    2.1273   -2.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051    1.4090   -4.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064    0.3139   -5.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0242    1.6544   -7.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556    3.4295   -5.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0881    3.8403   -3.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4760    2.5029   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303   -1.0179   -2.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -3.8776   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236   -3.5466    1.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -1.5734    2.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -2.9247    3.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074   -4.3368    3.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662   -5.1824    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335   -4.9784   -0.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -4.1787   -1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  1  1  0  0  0  0
  2 29  1  6  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3  2  1  0  0  0  0
  3 30  1  6  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 15  2  1  0  0  0  0
 15 41  1  6  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2081👍, 0💬