Molecule FYI-1002193

A

Molecule Summary:

ID: FYI-1002193
Names:
InChIKey: YHWAPEHHFXXIQJ-UHFFFAOYSA-N
SMILES: O=C2c1ccccc1C(=O)C26C(c3ccc(F)cc3)C(N(=O)=O)C(c4ccccc4)C5CCCCC56O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002193 Edit

Molecule Structure InChIKey: YHWAPEHHFXXIQJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C26C(c3ccc(F)cc3)C(N(=O)=O)C(c4ccccc4)C5CCCCC56O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002193
FYIcenter.com

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8517    2.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5283   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
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 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
  8 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 11 25  1  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 17 36  2  0  0  0  0
 20 37  2  0  0  0  0
  3 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002193-3D
FYIcenter.com

 63 68  0  0  1  0  0  0  0  0999 V2000
    1.1698    0.4975    0.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    0.3028    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3228    1.3467    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    2.6947   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3610    2.9734   -0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5773    0.8031   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342   -0.6374    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4861   -1.3870    0.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115   -1.0213    0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -2.0246   -0.4292 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.0100   -0.1215   -3.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2692   -2.8921    0.0811 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1049   -2.2224   -0.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305   -1.9185   -1.2611 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  2  0  0  0  0
  6 40  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 63  1  0  0  0  0
M  END
$$$$

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2023-02-28, 2722👍, 0💬