Molecule FYI-1008845

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A

Molecule Summary:

ID: FYI-1008845
Names:
InChIKey: UOKULICTTSTSHO-UHFFFAOYSA-N
SMILES: CCC(C)NC(=O)c1ccccc1N

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008845 Edit

Molecule Structure InChIKey: UOKULICTTSTSHO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)NC(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008845
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   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
    3.6373    4.2000    0.0000 O   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008845-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
   -0.5011    1.6272   -0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911   -0.0929    0.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0434    2.1973   -0.2417 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    0.3871    0.1501 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7718   -0.7768    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0378    1.3656    1.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5824   -1.7877   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409    0.5877   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9873   -0.0008   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230    0.7971   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0767   -1.3769    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    0.2093    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237   -1.9646    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.1716    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814    0.9199   -0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6900   -1.3050    1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7919   -0.3778    0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234   -0.8740    0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469    2.2148    1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108    0.8825    2.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578    1.7599    1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.3016   -1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091   -2.2833   -0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3560   -2.5603   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.0370   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717    0.8153    0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -3.0408    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414   -1.6296    0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1522    2.6538   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    2.7550   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 122👍, 0💬