Molecule FYI-1013013

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Molecule Summary:

ID: FYI-1013013
Names:
InChIKey: AMPDYPCGHFIJPK-UHFFFAOYSA-N
SMILES: O=C(CCl)Nc2cc1cccnc1c3ncccc23

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013013 Edit

Molecule Structure InChIKey: AMPDYPCGHFIJPK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCl)Nc2cc1cccnc1c3ncccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1013013
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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
    1.2124    4.9000    0.0000 C   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  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013013-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    5.2734    0.1055    0.8907 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -2.1569    0.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314   -0.1183   -0.4912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    2.2247    0.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2824   -0.1715    0.2055 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293    1.0955   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429   -0.0970   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725    1.0758    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.3440   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441   -0.1449    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -1.3125   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7869    2.3332   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9059   -2.5619   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684    3.5085   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2808   -2.5799    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    3.4001    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9169   -1.3661    0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339   -1.1134   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600   -0.7768   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -2.2524   -0.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    2.4324   -0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3777   -3.5057   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    0.7477   -0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602    4.4740   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325   -3.5121    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127    4.2832    0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9917   -1.3136    0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112   -0.1549   -1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273   -1.6960   -0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 18  2  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  2  0  0  0  0
  5 10  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
$$$$

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