Molecule Editor

Molecule ID: FYI-1000206 Edit

Molecule Structure SMILES String: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000206
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.8655    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  2  1  0  0  0  0
  5  2  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  9  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
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000206-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9353    0.0084   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -0.0444   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889    0.3972   -1.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8563    0.9956    1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909   -1.4574    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927   -2.6099   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679   -3.9321    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824   -4.0896    0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -2.9687    1.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -1.6704    1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8789   -3.1471    1.9387 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3422   -2.2428    2.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4455   -2.8314    3.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2805   -2.4536    4.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4140   -3.2671    4.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7152   -4.3741    3.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842   -4.7878    2.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -5.2940    1.3742 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1550   -4.4868    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3695   -5.5912   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  8 20  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 39  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 41  1  0  0  0  0
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 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$