Molecule FYI-1007395

A

Molecule Summary:

ID: FYI-1007395
Names:
InChIKey: LMIGZGYYWANYCN-UHFFFAOYSA-N
SMILES: CCC(NC(=O)N(C)Cc1ccco1)C(=O)NC(C)Cc2ccc(Cl)cc2

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007395 Edit

Molecule Structure InChIKey: LMIGZGYYWANYCN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(NC(=O)N(C)Cc1ccco1)C(=O)NC(C)Cc2ccc(Cl)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007395
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9080    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2774    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0406    2.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 14 10  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007395-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    2.9238    0.6620   -1.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735   -0.0584   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396    0.5730    1.1999 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5322   -0.0371    2.4467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461   -1.3676    2.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564   -2.1523    1.9363 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1877   -1.7845    3.9615 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -0.9850    4.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -3.1881    4.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -3.3637    4.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9808   -3.6795    4.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8183   -3.7488    5.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0121   -3.4795    6.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7362   -3.2420    6.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859    0.6254    1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    1.6936    1.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2067   -0.6029    1.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6479   -0.7893    1.2494 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1918   -0.2513    2.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0478   -2.2759    1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6263   -3.0014   -0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4451   -2.9899   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1089   -3.7556   -2.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9464   -4.5234   -2.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531   -5.4921   -3.7643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1089   -4.5228   -1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4481   -3.7649   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0141    0.7362   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066    1.6722   -1.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699   -1.1072   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777   -0.0469   -0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    1.6159    1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5727    0.5797    3.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0820   -0.2107    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2618   -0.4555    2.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6573   -2.8341    1.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403   -2.3585    1.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658   -2.4127   -1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7651   -3.7602   -3.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2009   -5.1202   -1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929   -3.7952    0.7055 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 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 50  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END
$$$$

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2024-02-28, 747👍, 0💬