Molecule FYI-1000308

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Molecule Summary:

ID: FYI-1000308
SMILES: CN(C)c1ccc(cc1)/C=C(/C(=O)N/N=C/c2cc(ccc2OC)Br)\\NC(=O)c3ccccc3

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

Molecule ID: FYI-1000308 Edit

Molecule Structure SMILES String: CN(C)c1ccc(cc1)/C=C(/C(=O)N/N=C/c2cc(ccc2OC)Br)NC(=O)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000308
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    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
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   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
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  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
  9  4  1  0  0  0  0
 10  7  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
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  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
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 19  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000308-3D
FYIcenter.com

 59 61  0  0  0  0  0  0  0  0999 V2000
    1.9566    1.2276    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283    0.1263   -0.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.3914   -1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193   -0.7548    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718   -0.6685    2.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883   -1.5512    2.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9028   -2.5382    2.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615   -2.6528    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368   -1.7714    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400   -3.4006    3.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -4.5949    3.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2073   -5.3530    4.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447   -6.2165    5.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5623   -5.0348    4.8959 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164   -5.6724    5.8488 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5727   -5.3484    5.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4180   -6.0096    6.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823   -7.3357    7.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8613   -8.0590    8.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9696   -7.4738    8.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3013   -6.1529    8.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5284   -5.4039    7.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0180   -4.1454    7.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0699   -3.0858    7.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4265   -9.8591    8.5895 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0894   -5.0975    3.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7864   -5.8835    2.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   -6.0624    1.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -6.5424    2.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7739   -6.9340    3.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901    1.8311   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    1.9076    1.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1094   -0.5316   -2.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2270   -6.8148    4.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
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 34 59  1  0  0  0  0
M  END
$$$$

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2022-07-01, 226👍, 0💬