Molecule FYI-1013370

A

Molecule Summary:

ID: FYI-1013370
Names:
InChIKey: ZXJQDDFDGOBGAR-UHFFFAOYSA-N
SMILES: Cc3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3C

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013370 Edit

Molecule Structure InChIKey: ZXJQDDFDGOBGAR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013370
FYIcenter.com

 22 24  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
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    2.8959    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
   14.0152    5.6959    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
    5.5282    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 C   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
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    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
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  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  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  4  1  0  0  0  0
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 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013370-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.9627    1.4333    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399    0.7201    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    1.4749    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7902    0.8573   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971   -0.5305   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1301   -1.2160   -0.1052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4007   -0.6585   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775    0.5375   -0.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5151   -1.6880   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4893   -2.4858    1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5780   -3.5013    1.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6212   -4.8019    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8391   -5.3848    1.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4028   -6.6704    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6405   -6.9266    1.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3179   -5.9215    2.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7823   -4.6339    2.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5381   -4.3981    1.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7683   -3.2569    1.9274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202   -1.2942   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496   -0.6844    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -1.5387    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    2.5209    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4693   -1.1554   -0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5529   -1.8051    2.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5312   -3.0095    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8383   -5.3041    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8766   -7.4602    0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0728   -7.9218    1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2769   -6.1421    2.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3113   -3.8556    3.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0283   -2.3833    2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -2.3807   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5465   -2.6064    0.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -1.3263    0.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109   -1.3469   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$

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2024-12-18, 991👍, 0💬