Molecule FYI-1004266

A

Molecule Summary:

ID: FYI-1004266
Names:
InChIKey: ZJWSTYBTZXKCGE-UHFFFAOYSA-N
SMILES: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c2ccccc2)NCc3ccccc3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004266 Edit

Molecule Structure InChIKey: ZJWSTYBTZXKCGE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c2ccccc2)NCc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004266
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6996    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   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
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
   15.7617    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  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
 24 19  1  0  0  0  0
 25 16  2  0  0  0  0
 26 14  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004266-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    4.1199   -0.1519   -0.9303 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439   -0.9293   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8267   -0.5594    1.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383   -1.5035    1.8544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343   -1.3660    1.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -0.5645    1.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -2.3235    2.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -2.2151    2.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981   -3.2957    2.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7771   -3.2823    2.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3753   -2.1797    3.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333   -2.1455    3.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0251   -2.6282    2.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816   -1.1007    3.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7458   -2.2024    2.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645   -3.5944    2.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998   -4.2633    3.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2012   -3.5474    4.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0579   -2.1627    4.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -1.4902    3.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4632   -3.6599   -1.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4475   -5.2445   -3.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3092   -3.0614   -2.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2137   -0.4110    3.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
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 27 50  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
$$$$

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2023-09-07, 949👍, 0💬