Molecule FYI-1008844

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A

Molecule Summary:

ID: FYI-1008844
Names:
InChIKey: FWQYJOPJMIEKHZ-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)c1ccccc1N

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

Molecule ID: FYI-1008844 Edit

Molecule Structure InChIKey: FWQYJOPJMIEKHZ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1008844
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008844-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
    0.9126    0.1114   -1.8607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610   -0.3245    0.3206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7781    2.2225    0.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009   -0.2771    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7342   -1.2170    1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4964    1.1572    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7808   -0.1762   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -0.1224   -0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    0.9696    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4150   -1.4029   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7660    0.8865    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -1.4860    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4271   -0.3412    0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839   -0.6041   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   -0.4588    1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -2.2451    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8117   -1.2078    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5719   -0.9312    2.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    1.8267   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    1.2218    0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3076    1.5349    1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955   -2.2984   -0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044    1.7705    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667   -2.4419    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4679   -0.4061    0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837    3.0416    0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916    2.3085   -0.0800 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 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  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  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 126👍, 0💬