Molecule FYI-1005583

A

Molecule Summary:

ID: FYI-1005583
Names:
InChIKey: OFQBMHFAINBFEO-UHFFFAOYSA-N
SMILES: COc2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(C)=O

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005583 Edit

Molecule Structure InChIKey: OFQBMHFAINBFEO-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc1c(C)cc(=O)oc1cc2Nc3ccccc3C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005583
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    0.0000    2.8000    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
    1.2125    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
    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
    4.8498    2.8000    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005583-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.1624   -0.8970    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    0.1571    0.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2504    0.9084   -0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3725    0.3778   -1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1979    1.1781   -2.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    0.7057   -2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143   -0.7113   -2.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    1.5968   -3.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7763    3.0098   -3.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4929    3.7799   -4.3878 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5928    3.4103   -3.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8257    2.5103   -2.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821    3.0439   -1.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    2.2525   -0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7815    2.8158   -0.2892 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5973    4.1251    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153    4.8718    0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    6.1860    1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    6.7927    1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174    6.0803    0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305    4.7513    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4337    4.0847   -1.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787    2.1423    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008    4.4114    0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4796    6.7247    1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    7.8163    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 884👍, 0💬