Molecule FYI-1014334

A

Molecule Summary:

ID: FYI-1014334
Names:
InChIKey: XCMJGNUGOYSYEP-UHFFFAOYSA-N
SMILES: O=c2c(Cl)c(Nc1cccc(O)c1)c(=O)c3ccccc23

Received at FYIcenter.com on: 2025-04-02

Molecule ID: FYI-1014334 Edit

Molecule Structure InChIKey: XCMJGNUGOYSYEP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c(Cl)c(Nc1cccc(O)c1)c(=O)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014334
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.7000    0.0000 O   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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   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 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
    1.2124    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
    2.4249    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    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  5  1  0  0  0  0
  7  6  1  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21  6  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014334-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
   -0.3057    3.0758   -0.2857 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -1.8430   -1.2836 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    2.6600    0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106   -0.7758    2.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423    0.3677   -1.3431 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1742   -0.7937   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    0.3785    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    0.4636   -0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8033   -0.8064   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447    1.6282    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    1.5792   -0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275   -1.9747   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.0555   -0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    0.3730    0.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -1.9773    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742   -0.8052    0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -0.2089    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6438    0.0028   -1.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6211   -0.5204    1.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8322   -0.3087   -0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8209   -0.5702    0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    0.2199   -2.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227   -2.9024   -0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    1.2743    1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8075   -2.8941    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845   -0.8084    1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132   -0.1789    1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684    0.2052   -2.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7664   -0.3474   -1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7537   -0.8116    1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5179   -0.9725    2.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 19  1  0  0  0  0
  4 31  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1171👍, 0💬