Molecule FYI-1013343

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A

Molecule Summary:

ID: FYI-1013343
Names:
InChIKey: INTUKYJQKVDNEZ-UHFFFAOYSA-N
SMILES: Cc1ccccc1NC(=O)CCc3nc2ccccc2[nH]3

Received at FYIcenter.com on: 2024-12-10

Molecule ID: FYI-1013343 Edit

Molecule Structure InChIKey: INTUKYJQKVDNEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1NC(=O)CCc3nc2ccccc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013343
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    1.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  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
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013343-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
   -2.2125    2.7028    0.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    1.2794   -0.7380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.8611    1.1344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493    0.9449   -0.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    3.0916    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932    1.7444    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085    3.0998   -0.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    0.0112   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1367   -0.2267    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4110    2.2472   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1971   -0.1399   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7188   -0.9197   -0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860   -1.4613    1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062   -1.3961   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8553   -2.1432   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1526   -2.4111    0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2335    0.0592    0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -2.4532   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044   -1.6382   -1.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790   -0.9979    0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8881   -2.2540    0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151    3.7844   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040    3.4747    1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1209    2.7787   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863    4.1277   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130    1.7780   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2629   -0.7095   -1.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    0.7392   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437   -1.6794    2.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209   -2.8995   -0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791   -3.3715    1.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4502    0.9969    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174   -3.4385   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168   -0.9898   -2.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0703   -1.4612   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048   -2.6718   -2.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8864   -0.8445    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5464   -3.0771    0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
$$$$

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2024-12-18, 578👍, 0💬