Molecule FYI-1001184

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Molecule Summary:

ID: FYI-1001184
SMILES: CC(C)(CCCC(=O)N(c1ccccc1)c2ccccc2)c3ccc(Br)cc3

Received at FYIcenter.com on: 2022-02-22

Molecule ID: FYI-1001184 Edit

Molecule Structure SMILES String: CC(C)(CCCC(=O)N(c1ccccc1)c2ccccc2)c3ccc(Br)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001184
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.5120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    1.5876    0.0000 C   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
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  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  2  0  0  0  0
 17 12  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 22  1  0  0  0  0
 31 30  2  0  0  0  0
 31 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001184-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.8741    0.3755    1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -0.0490   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319    0.9703   -1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975   -1.4639   -0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3786   -2.5961    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550   -3.9545    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -5.0329    1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389   -4.7404    2.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3022   -6.3084    0.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0064   -6.8136   -0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4058   -6.8708   -0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0863   -7.4314   -1.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -7.9067   -2.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858   -7.8317   -2.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017   -7.2942   -1.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -7.1745    1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728   -6.6366    1.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -7.4550    2.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6738   -8.8322    2.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3731   -9.3923    1.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3645   -8.5724    0.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -0.0034   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337    0.3491    1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1646   -0.2951   -1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9646    0.3325    1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.2660    2.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7260    1.0291   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0461   -3.9052   -0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9722   -6.5435    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703   -7.5141   -1.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082   -8.3423   -3.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308   -8.1995   -3.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160   -7.2433   -1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1843   -5.5645    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4235  -10.4693    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -9.0566    0.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5117    0.5929    2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061    0.6856    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2921   -0.5653   -2.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  2  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  2  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$

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2022-04-21, 1985👍, 0💬