Molecule FYI-1016691

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Molecule Summary:

ID: FYI-1016691
Names:
InChIKey: XKUDQTCZAIAHGO-XFFZJAGNSA-N
SMILES: CN/N=C\\C(=O)c1ccccc1

Received at FYIcenter.com on: 2026-02-21

Molecule ID: FYI-1016691 Edit

Molecule Structure InChIKey: XKUDQTCZAIAHGO-XFFZJAGNSA-N

Molecule Structure SMILES String: CN/N=C\C(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016691
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 N   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
    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
    4.6928    4.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  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
 11  6  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016691-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -0.9579    2.1211    0.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5452   -0.3201   -0.6864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3325   -0.5433    0.6274 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503    0.4208   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    0.9708    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165   -0.7596   -0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6373    1.0791   -0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558    0.3405    0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525   -1.3900   -0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -0.8400    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969    0.5052   -1.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472   -1.5844    1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333    1.8896    1.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877   -1.2153   -1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6110    0.7686    1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -2.3087   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844   -1.3306    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836    0.8230   -2.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622    0.3215    1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9869   -2.5437    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110   -1.3321    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742   -1.7076    2.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2026-03-22, 751👍, 0💬