Molecule FYI-1001722

Home > Molecule

A

Molecule Summary:

ID: FYI-1001722
SMILES: CCCCC1(Cc2cc(OCCCC3NC(=O)CC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001722 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3NC(=O)CC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001722
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.6013   11.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033   10.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    6.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    5.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0499    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4714    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    0.9317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3448    2.3357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    4.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1723    5.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4579    4.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0033    6.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8117    5.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1240    5.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1975    7.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8868    7.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21  9  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25  7  1  0  0  0  0
 26 25  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  2  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001722-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    1.9076   -0.2122    2.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -0.2886    1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618   -1.6953    1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046   -1.6840   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -2.9155   -0.6434 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8682   -3.2295    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589   -4.4314    1.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5479   -4.9062    2.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9482   -6.0945    2.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1211   -6.5673    4.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7675   -5.6412    5.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570   -6.1285    6.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6179   -5.0658    7.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -5.4804    8.7249 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6901   -5.6515    9.5144 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336   -5.1155   10.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8877   -5.2932   11.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9856   -4.3043   10.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5857   -4.4036    9.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629   -3.7654    9.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -6.8448    2.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347   -8.3917    2.5217 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8225   -6.3398    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -7.2395   -0.3914 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3431   -5.0995    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -4.2060   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190   -4.4568   -1.6071 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4702   -2.6513   -2.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6635   -3.5124   -2.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534   -2.5430   -3.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128   -1.3486   -3.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575   -1.2036   -2.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5296    0.8055    2.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289   -0.4677    3.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -0.8921    2.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5339    0.4296    1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    0.0258    0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504   -2.4277    1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9253   -1.9638    1.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.8169   -0.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2773   -1.4779   -1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9871   -2.4041    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8691   -3.4986    0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2211   -4.3152    3.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2126   -4.6934    5.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7928   -5.4875    4.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714   -7.0955    6.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514   -6.2907    6.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   -4.1188    7.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5799   -4.8656    6.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4717   -6.4022    8.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498   -6.3064    9.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6527   -4.7768   11.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7501   -3.2703   11.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648   -2.8834   -2.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3153   -4.2370   -3.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -4.0936   -1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1810   -2.9909   -4.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998   -2.2300   -2.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609   -1.5652   -4.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4091   -0.4459   -3.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9819   -0.6083   -2.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3630   -0.7057   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  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 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-02, 2109👍, 0💬