Molecule FYI-1002924

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A

Molecule Summary:

ID: FYI-1002924
Names:
InChIKey: WCXDHFDTOYPNIE-RIYZIHGNSA-N
SMILES: C/C(=N\\C#N)N(C)Cc1ccc(Cl)nc1

Received at FYIcenter.com on: 2023-04-27

Molecule ID: FYI-1002924 Edit

Molecule Structure InChIKey: WCXDHFDTOYPNIE-RIYZIHGNSA-N

Molecule Structure SMILES String: C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002924
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4871    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
    7.2746    4.2000    0.0000 N   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
    9.6994    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  3  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002924-3D
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.0275    0.1366    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5519    0.0248    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    1.0599    0.2592 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091    2.2813    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541    3.3383    0.5488 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183   -1.2411   -0.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369   -2.4532   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795   -1.4218   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1507   -1.8392    1.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6014   -1.4914    2.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -1.8916    3.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4040   -2.6173    3.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2282   -3.1692    4.9675 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9885   -2.9514    2.4029 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555   -2.5447    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543    1.1307    0.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997   -0.5647    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695   -0.1138   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3672   -2.2486   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635   -2.9713    0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -3.1408   -0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0940   -0.5138   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -2.1894   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898   -0.9031    2.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158   -1.6374    4.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8728   -2.8110    0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

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2023-05-09, 1408👍, 0💬