Molecule FYI-1001718

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A

Molecule Summary:

ID: FYI-1001718
SMILES: CCCCC1(Cc2cc(OCCCC3=NOC(=O)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

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

Molecule ID: FYI-1001718 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3=NOC(=O)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001718
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.2061   12.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080   10.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    9.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080    8.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    7.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    7.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    5.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0859    2.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8700    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    3.5420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    1.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    1.5669    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    2.9709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7771    6.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0629    5.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6081    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7290    6.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8025    7.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917    8.3168    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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 27  5  1  0  0  0  0
 28 27  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
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001718-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    2.3553    2.3578   -0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    1.1237   -0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982    0.3035   -1.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946   -0.9235   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340   -1.7731   -2.2479 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7284   -3.0171   -1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6584   -4.0752   -1.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490   -5.2781   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -6.1818   -1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -7.3056   -0.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309   -8.5251   -0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9018   -9.7216   -0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8976   -9.7429    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6343  -10.9406    1.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875  -12.0726    2.1224 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1699  -12.9004    2.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897  -12.1082    2.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4215  -12.4430    2.8353 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9425  -10.9021    2.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120   -5.8394   -1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909   -6.8331   -2.1154 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5479   -4.6237   -2.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666   -4.1668   -3.7472 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6261   -3.7730   -2.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -2.4485   -3.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093   -1.9650   -3.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9078   -0.9012   -3.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9954   -0.6496   -4.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7882    0.5700   -3.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7827    0.1543   -2.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9675    2.9343   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148    2.0752   -1.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4273    0.5146    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2001    0.9613   -2.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1005   -2.8066   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531   -3.4255   -2.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4476  -10.6425   -0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3817   -8.8452    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5846  -10.1350    1.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2333   -0.3573   -3.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4003   -2.4764   -3.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END
$$$$

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2022-12-02, 861👍, 0💬