Molecule FYI-1004268

A

Molecule Summary:

ID: FYI-1004268
Names:
InChIKey: AQRSQGOLKUSNJJ-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1)c2ccccc2

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

Molecule ID: FYI-1004268 Edit

Molecule Structure InChIKey: AQRSQGOLKUSNJJ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004268
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 O   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
    9.6995    4.9000    0.0000 C   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    4.9000    0.0000 C   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
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    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
    0.5124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    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
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 21 18  1  0  0  0  0
 22 16  2  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004268-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    2.4582    1.2643    4.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    2.0757    4.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    3.4792    5.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4990    1.3503    6.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783    2.1710    3.6934 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    2.7923    2.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946    3.2699    2.4413 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043    2.7344    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4536    2.8988    1.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196    1.8277    1.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014    0.6807    1.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8021    2.2026    1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7871    1.0761    0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205    1.1675   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7354    0.2164   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8285   -0.8426    0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9276   -1.8394    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3060   -2.4499    1.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4733   -2.0653   -0.8152 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4070   -3.1278   -0.8748 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021   -0.9418    1.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8868    0.0096    1.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    4.1362    1.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474    5.3056    1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    6.5142    1.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7251    6.5527    3.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    5.3859    3.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    4.1778    3.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    1.1939    5.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7022    0.2438    4.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8355    1.7082    3.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458    3.4189    6.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423    4.0800    4.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862    4.0363    5.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8568    1.2383    6.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    1.9033    6.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    0.3456    5.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4397    1.6460    3.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1509    2.7170    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8666    2.9103    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6890    2.0045   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4707    0.3492   -1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9759   -1.8586   -1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4719   -3.3978    0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9760   -1.7506    2.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1893   -0.0783    2.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5058    5.2886    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    7.4285    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    7.4978    3.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248    5.4131    4.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170    3.2723    3.8214 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  5  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 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  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 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 516👍, 0💬