Molecule FYI-1012237

A

Molecule Summary:

ID: FYI-1012237
Names:
InChIKey: SKSYAQXDLFIVSH-DHZHZOJOSA-N
SMILES: COc4ccc(/C=C/C(=O)c3c(c1ccncc1)c2ccccc2[nH]c3=O)cc4

Received at FYIcenter.com on: 2024-08-18

Molecule ID: FYI-1012237 Edit

Molecule Structure InChIKey: SKSYAQXDLFIVSH-DHZHZOJOSA-N

Molecule Structure SMILES String: COc4ccc(/C=C/C(=O)c3c(c1ccncc1)c2ccccc2[nH]c3=O)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012237
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  7  2  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  2  0  0  0  0
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 16 11  1  0  0  0  0
 19  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  5  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26  8  2  0  0  0  0
 27  6  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 25 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012237-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    7.7786    2.3236  -10.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026    0.9115  -11.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6341    0.1572  -10.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5237    0.6403   -8.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968   -0.2449   -7.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1663   -1.6207   -7.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8160   -2.4908   -6.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525   -3.5879   -6.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -4.3342   -5.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6402   -3.7995   -4.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050   -5.7627   -5.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907   -6.4790   -4.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9825   -6.6506   -3.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471   -7.8702   -3.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -8.0342   -2.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -7.0660   -2.3400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166   -5.8852   -2.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0432   -5.6376   -3.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6098   -6.7399   -4.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0892   -6.5311   -3.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674   -6.4903   -2.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -6.7222   -3.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8916   -7.0109   -5.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5220   -6.9721   -5.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7930   -6.4803   -7.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4320   -6.6288   -3.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5955   -7.1445   -6.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985   -7.3170   -7.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -3.1675   -9.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677   -1.6064  -11.2469 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 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
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 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
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 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1427👍, 0💬