Molecule FYI-1013340

A

Molecule Summary:

ID: FYI-1013340
Names:
InChIKey: SPWJLKJTKVYNIY-UHFFFAOYSA-N
SMILES: CN(C)c3cccc(NC(=O)CCc2nc1ccccc1[nH]2)c3

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

Molecule ID: FYI-1013340 Edit

Molecule Structure InChIKey: SPWJLKJTKVYNIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3cccc(NC(=O)CCc2nc1ccccc1[nH]2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013340
FYIcenter.com

 23 25  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 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    1.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    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
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    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013340-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.9164   -1.6864   -0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198   -0.3209   -0.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658   -0.1566   -0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1443    0.6099   -1.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6968    1.9334   -1.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823    2.8741   -2.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5517    2.5158   -2.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0555    1.2271   -2.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2445    0.7872   -3.4025 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1039    1.5356   -4.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    2.7139   -4.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196    0.7612   -4.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3459    0.5462   -3.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9036   -0.3684   -2.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0331   -1.3565   -2.5132 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120   -1.8126   -1.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9124   -2.2320    1.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7369   -1.2337    1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 27  1  0  0  0  0
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  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
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 10 12  1  0  0  0  0
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 20 41  1  0  0  0  0
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 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1285👍, 0💬