Molecule FYI-1004937

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A

Molecule Summary:

ID: FYI-1004937
Names:
InChIKey: MACLXDUWWMLHFB-RVDMUPIBSA-N
SMILES: O=C(/N=C/c1ccccc1)Nc2ccccc2

Received at FYIcenter.com on: 2023-10-02

Molecule ID: FYI-1004937 Edit

Molecule Structure InChIKey: MACLXDUWWMLHFB-RVDMUPIBSA-N

Molecule Structure SMILES String: O=C(/N=C/c1ccccc1)Nc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004937
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004937-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    0.8104    1.7393   -0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5370   -0.4676    0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -0.0208    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450   -0.3363    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0932    0.2649    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327   -1.4763    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088    0.9294   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650    1.1578    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3307   -1.1097   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215   -1.3470    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8977    1.0584   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7040   -0.0798   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7286    0.7671    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740    0.6761    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6398   -1.5912   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7115   -0.6982   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756    0.5339    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2893   -2.4681    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    1.8571   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842   -1.4217    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9962    2.2316    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160   -1.8289   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7494   -2.2332    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3529    2.0447   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7854    0.0208   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068    1.8654    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3086    1.3712    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8253   -2.6613   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7307   -1.0732   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 14  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

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2023-10-11, 1142👍, 0💬