Molecule FYI-1013386

A

Molecule Summary:

ID: FYI-1013386
Names:
InChIKey: ZALFWRVKZCJDAE-UHFFFAOYSA-N
SMILES: CC(=O)c3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3

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

Molecule ID: FYI-1013386 Edit

Molecule Structure InChIKey: ZALFWRVKZCJDAE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013386
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
   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
   15.2276    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    0.0000 O   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
    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
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 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013386-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.3804    0.4865    2.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646    1.0633    2.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    0.5633    3.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1447    2.2590    1.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2468    2.8711    0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6418    3.9695   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    4.4780    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4005    5.5735   -0.7245 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6905    6.2374   -1.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    5.9553   -2.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140    7.4246   -2.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    8.6820   -2.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0060    9.9021   -2.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486   11.0056   -2.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5409   12.0240   -3.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9130   13.3804   -3.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399   14.1425   -4.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287   13.5689   -5.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2722   12.2169   -5.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7341   11.4752   -4.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4967   10.1649   -4.0518 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8352    3.8812    0.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4424    2.7765    1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5394    8.5020   -2.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2833   11.1261   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5297   13.8428   -2.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6950   15.1996   -4.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541   14.1810   -6.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324   11.7752   -6.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9095    9.5365   -4.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8535    4.2473    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1577    2.3225    2.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4 23  2  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1088👍, 0💬