Molecule FYI-1005702

A

Molecule Summary:

ID: FYI-1005702
Names:
InChIKey: WYTJZJPVCDWOOI-GURQAQJRSA-N
SMILES: CC(O)NC(=O)C2C=C1c3cccc4[nH]cc(C[C@H]1N(C)C2)c34

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

Molecule ID: FYI-1005702 Edit

Molecule Structure InChIKey: WYTJZJPVCDWOOI-GURQAQJRSA-N

Molecule Structure SMILES String: CC(O)NC(=O)C2C=C1c3cccc4[nH]cc(C[C@H]1N(C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005702
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
    9.5039    6.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945    8.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0851    6.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8755    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8755    8.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4567    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472    6.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472    4.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378    2.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2472    2.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378    7.0467    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
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 22 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005702-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
    2.8315   -1.3270   -0.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3470   -0.9584    1.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    2.2859    0.0785 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0838    0.1485    0.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583   -0.2403    0.4823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624    1.4620   -0.2936 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4951   -0.0446    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585    2.1045    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723    1.6067   -0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9272    0.3030    0.4949 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1199    1.1832    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.9066   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033   -0.2022    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910   -0.5418    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1304   -0.8414   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908    3.6152   -0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4806    1.3805    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738   -2.2973   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325   -0.5155   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2259   -2.2265   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0187   -2.9395   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4850   -0.9008    0.0833 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1903   -0.1476   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3901    4.1839   -0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8233   -1.3217    1.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 22  1  0  0  0  0
  2 44  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  1  0  0  0  0
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  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
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 15 20  2  0  0  0  0
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 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1950👍, 0💬