Molecule FYI-1004267

A

Molecule Summary:

ID: FYI-1004267
Names:
InChIKey: QRYIMDQWSRUOOR-UHFFFAOYSA-N
SMILES: CCCCNC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1)c2ccccc2

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

Molecule ID: FYI-1004267 Edit

Molecule Structure InChIKey: QRYIMDQWSRUOOR-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004267
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    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
   13.3368    2.1000    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
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
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 21 20  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-1004267-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    1.3939   -2.6312    7.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666   -2.2832    6.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7242   -3.1276    6.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7840   -2.9445    5.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3759   -1.6224    5.3710 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3845   -1.4252    4.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558   -2.3160    3.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0231   -0.0317    4.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003   -0.0411    4.5291 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.0410    3.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6113    0.1321    3.5834 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241   -0.2653    2.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7420   -1.0372    1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6651   -2.4370    1.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4505   -3.1574    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3374   -2.4853   -0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1294   -3.2017   -1.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5348   -2.6268   -2.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4002   -4.5322   -1.5086 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2487   -5.1519   -2.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4424   -1.0915   -0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6578   -0.3737    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0018    0.0524    5.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9459    1.0252    6.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3683    1.1436    7.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8671    0.2822    8.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9519   -0.7032    8.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5183   -0.8119    6.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127   -1.9964    7.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -2.4847    8.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -3.6743    7.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -1.2194    6.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605   -2.4478    5.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327   -4.1877    6.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2965   -0.9818    6.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6030    0.6035    5.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    0.4422    3.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6014    0.7171    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8789   -0.8082    2.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9676   -2.9742    1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3211   -4.2346    0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3722   -4.9525   -0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3763   -4.4347   -3.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -0.5573   -1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7599    0.7086    0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3443    1.7155    5.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0931    1.9067    7.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2052    0.3683    9.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878   -1.4042    8.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557   -1.6319    6.6020 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 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  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
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 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, 1321👍, 0💬