Molecule FYI-1005825

A

Molecule Summary:

ID: FYI-1005825
Names:
InChIKey: RYWFWIJSJGYZTQ-UHFFFAOYSA-N
SMILES: Cn3ccc(C(=O)NCc1ccccc1N2CCCCC2)c(O)c3=O

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005825 Edit

Molecule Structure InChIKey: RYWFWIJSJGYZTQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3ccc(C(=O)NCc1ccccc1N2CCCCC2)c(O)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005825
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22  5  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005825-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
    0.5974   -2.5385   -1.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100   -2.0872    1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2823   -0.9036    2.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907    1.2590    0.2582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952   -0.3845   -1.3306 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745    0.4196    0.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932    2.3112   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223    1.7069    1.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061    3.3635   -0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    2.7634    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    3.9063    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8055    0.0035    0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5599   -0.9731   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6725   -0.2650    1.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306   -0.7110   -1.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1813   -2.2184   -0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2941   -1.5102    1.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0484   -2.4869    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   -1.3293   -1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669   -0.7473   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -1.1428    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309    0.2486   -1.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016   -0.5356    0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833    0.7888   -1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6344    1.0624    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454    2.7780    0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240    1.8906   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3879    2.3049    0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369    3.1556    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754    4.4549    0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105    4.6145   -0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5707   -1.5803   -2.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992    0.1261   -2.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9702   -1.7190    2.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1871    0.5488   -2.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    1.5358   -1.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4768    2.1433    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3771    0.8478   -0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0109    0.6972    1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0803   -2.3919    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 21  1  0  0  0  0
  2 48  1  0  0  0  0
  3 23  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  5 42  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

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2023-11-23, 696👍, 0💬