Molecule FYI-1014453

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A

Molecule Summary:

ID: FYI-1014453
Names:
InChIKey: GQYIWUVLTXOXAJ-UHFFFAOYSA-N
SMILES: O=NN(CCCl)C(=O)NC1CCCCC1

Received at FYIcenter.com on: 2025-04-17

Molecule ID: FYI-1014453 Edit

Molecule Structure InChIKey: GQYIWUVLTXOXAJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=NN(CCCl)C(=O)NC1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014453
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014453-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
    5.4639    0.8671    0.1850 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7531    1.8292   -0.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266   -2.4947   -0.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    0.0797    0.2488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.3242   -0.2464 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -1.7795   -0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287    0.9156    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621    1.1780   -0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677    0.3041    1.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -0.0601   -1.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987   -0.9327    0.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298   -0.6438   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778    0.6132   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    0.0913   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8193    0.3568    0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760    1.8787    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630    1.5334   -1.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957    1.9797   -0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5122    1.0552    1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2087    0.0398    2.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5640   -0.8208   -1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8676    0.2025   -2.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2187   -1.2747    1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7892   -1.7550    0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0489    0.0609   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6842   -1.5657   -0.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026   -0.9244    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279   -0.6511   -1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8941    1.0143   -1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9119   -0.5410    1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    1.1479    1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1296👍, 0💬