Molecule FYI-1002563

A

Molecule Summary:

ID: FYI-1002563
Names:
InChIKey: LAOLWNWOWIAZAV-UHFFFAOYSA-N
SMILES: O=c3c1sccc1n(Cc2ccc(F)cc2Cl)c(=O)n3c4ccccc4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002563 Edit

Molecule Structure InChIKey: LAOLWNWOWIAZAV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3c1sccc1n(Cc2ccc(F)cc2Cl)c(=O)n3c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002563
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.6994    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5968    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    0.1464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7157    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.9157    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
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 16 15  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002563-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
    4.5835   -0.9734    1.6963 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104   -3.8065   -1.2153 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0729    2.6652   -1.7797 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634    1.2438    1.5177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194   -1.8353   -1.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849   -0.6434    0.8373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8918   -0.2553    0.0946 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3465   -1.8765    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5900   -0.2366    1.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742   -2.2740   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7527    0.2021    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703   -1.4868   -0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431    0.5201    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772   -2.8630    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0551    0.6081    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876   -3.9660   -0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9116    0.2498    0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293    1.5151   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2797    0.1508    0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.8969   -0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662    0.9743   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8839    2.2396   -0.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3992    0.9822    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0692    2.7285   -0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    1.9691   -0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2939    2.2711   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -1.1183    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082    0.4311    2.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585   -2.7922    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -4.8541   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    1.7757   -0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3756   -0.8477    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    2.2646   -0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8349    0.7762   -0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4852    3.0164   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3522    0.6269    0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9877    3.7314   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1653    2.9185   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 31  1  0  0  0  0
 19 23  1  0  0  0  0
 19 32  1  0  0  0  0
 20 24  2  0  0  0  0
 20 33  1  0  0  0  0
 21 25  2  0  0  0  0
 21 34  1  0  0  0  0
 22 25  1  0  0  0  0
 22 35  1  0  0  0  0
 23 26  2  0  0  0  0
 23 36  1  0  0  0  0
 24 26  1  0  0  0  0
 24 37  1  0  0  0  0
 26 38  1  0  0  0  0
M  END
$$$$

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2023-04-13, 1675👍, 0💬