Molecule FYI-1004281

A

Molecule Summary:

ID: FYI-1004281
Names:
InChIKey: BWZQYXXHOPSSEP-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cccc2[nH]ccc12)c3

Received at FYIcenter.com on: 2023-08-25

Molecule ID: FYI-1004281 Edit

Molecule Structure InChIKey: BWZQYXXHOPSSEP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cccc2[nH]ccc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004281
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1871    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    7.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    3.6373    7.0000    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
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  6  5  1  0  0  0  0
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  8  6  1  0  0  0  0
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 11 10  1  0  0  0  0
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 19 18  1  0  0  0  0
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 22 21  1  0  0  0  0
 25 24  1  0  0  0  0
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 25 21  2  0  0  0  0
 26 13  2  0  0  0  0
 26  9  1  0  0  0  0
 24 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004281-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    3.3496    1.4386   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677    0.0584   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -0.5341    1.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.2713   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2111   -0.8579   -1.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -1.1682   -0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402   -0.7184   -0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9998   -1.9956   -1.9365 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436   -2.4714   -2.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1714   -2.4473   -0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5063   -2.8021   -0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0470   -3.2355   -2.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395   -3.3817   -3.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7763   -3.9220   -4.4686 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9949   -4.5907   -4.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7670   -4.8699   -3.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632   -5.1288   -5.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0195   -6.3709   -6.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2879   -6.9436   -7.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8052   -6.3584   -8.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2233   -5.0931   -8.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6099   -4.2702   -9.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7596   -2.9768   -8.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8717   -3.0471   -7.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1115   -4.4136   -7.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -2.9765   -3.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2864    0.1432    2.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580   -0.7279    1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107   -1.4941    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7159    0.9695    0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6237   -0.6713   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    0.6762   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764   -2.1415   -2.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8582   -7.8691   -7.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9659   -6.8242   -9.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1040   -4.5745  -10.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6866   -2.1426   -9.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9005   -2.2031   -6.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2571   -3.0502   -4.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  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 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
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  5  6  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 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  2  0  0  0  0
 10 11  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
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 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1758👍, 0💬