Molecule FYI-1010162

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A

Molecule Summary:

ID: FYI-1010162
Names:
InChIKey: OTHBCWKTCXJYAW-UHFFFAOYSA-N
SMILES: O=CN(Cc1ccccc1)Cc2ccccc2

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010162 Edit

Molecule Structure InChIKey: OTHBCWKTCXJYAW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=CN(Cc1ccccc1)Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010162
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8501    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9998    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
    4.8499    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010162-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
   -0.6049   -2.9909    0.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -0.8115   -0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459   -0.1419    0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8178    0.0303   -1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1193    0.2172    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    0.2558   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540    1.4559   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518    1.3374    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690   -0.6855    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -0.6209   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0182   -2.1841   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6384    1.7920   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    1.5466    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4535   -0.3497    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5122   -0.4118   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881    0.8891   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.6720    0.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2095    0.7415    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173   -0.8169    1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080    0.9838   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.4535   -2.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489    2.1738   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617    2.0322    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033   -1.6531    1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371   -1.4680   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548   -2.5245   -1.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217    2.7573   -1.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403    2.3919    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2712   -1.0523    0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3144   -1.0926   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6884    1.1509   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7721    0.8352    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  2  0  0  0  0
  9 24  1  0  0  0  0
 10 15  2  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  2  0  0  0  0
 12 27  1  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1053👍, 0💬