Molecule FYI-1005852

A

Molecule Summary:

ID: FYI-1005852
Names:
InChIKey: FUNXTYSYIXPBMM-UHFFFAOYSA-N
SMILES: CN4CCCN(C(=O)c2c[nH]n3c1ccccc1c(=O)nc23)CC4

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

Molecule ID: FYI-1005852 Edit

Molecule Structure InChIKey: FUNXTYSYIXPBMM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN4CCCN(C(=O)c2c[nH]n3c1ccccc1c(=O)nc23)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005852
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.2700    2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813    3.5382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1813    4.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6698    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    6.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1753    5.6778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628    6.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9628    7.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504    5.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    6.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    3.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    3.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8021    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    4.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0970    3.3295    0.0000 C   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
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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 22 17  1  0  0  0  0
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 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005852-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
   -1.5387    1.5666   -2.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6186    2.7611    1.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549    0.0192   -0.9280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3821   -0.5109    1.6725 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.8228   -0.7967   -0.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -1.8159   -1.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247    1.4342   -0.0682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0174    0.7240   -1.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782    1.4656    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7681   -1.1942   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1977    0.5797    1.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0541   -1.5261    0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5890    0.5447   -1.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -0.1854   -1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142   -1.1350    2.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.2573   -0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0271   -1.4540   -1.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -0.6410   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    0.6092    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    1.6842    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0662   -1.6477   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6559    0.8436    1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6131   -0.1710    1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
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  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6 17  1  0  0  0  0
  6 39  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
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 15 35  1  0  0  0  0
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 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
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 19 22  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2958👍, 0💬