Molecule FYI-1006633

A

Molecule Summary:

ID: FYI-1006633
Names:
InChIKey: OUQFJULMWKLZCA-UHFFFAOYSA-N
SMILES: Cc3c(c1ccccc1)c(=O)oc4cc(OCn2ccnn2)ccc34

Received at FYIcenter.com on: 2024-01-07

Molecule ID: FYI-1006633 Edit

Molecule Structure InChIKey: OUQFJULMWKLZCA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c1ccccc1)c(=O)oc4cc(OCn2ccnn2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006633
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7029    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    7.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    7.9834    0.0000 C   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
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  8  2  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  1  0  0  0  0
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 21 20  2  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006633-3D
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.3057   -2.9879   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850   -1.5052   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -0.9588    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0329   -1.8056   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5853   -2.3021    1.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7654   -3.0477    1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3961   -3.3045   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8385   -2.8347   -1.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6575   -2.0912   -1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299    0.5214    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484    1.0264    0.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8975    1.3220    0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929    0.7711    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4596    1.6736   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651    1.1897   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    2.1222   -0.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830    1.6102   -0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7811    2.6991   -1.2249 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3662    3.8789   -1.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    4.4579   -2.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5803    3.6275   -1.9633 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1104    2.5382   -1.3682 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9829   -0.1848    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -1.0717    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -0.6080    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3193   -3.2209   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3289   -3.8625   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3332   -3.0321   -2.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417   -1.7189   -2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678    2.7437   -0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8076    0.9358   -1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    1.1243    0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9814   -0.6096    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317   -2.1347    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 1792👍, 0💬