Molecule FYI-1000439

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Molecule Summary:

ID: FYI-1000439
SMILES: Oc1ccc(cc1OC)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Received at FYIcenter.com on: 2021-06-24

Molecule ID: FYI-1000439 Edit

Molecule Structure SMILES String: Oc1ccc(cc1OC)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000439
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2398    1.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6321    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2015    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8855    4.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9238    5.5362    0.0000 O   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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  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
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000439-3D
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
    2.2926   -0.2286    0.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300   -0.1185    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -1.2846    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2185   -1.2327    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8903   -0.0173    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1145    1.1491   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919    1.1149   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638    2.3493   -0.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831    2.4330   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015    0.0555   -0.0638 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9730   -0.7649   -1.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9201   -1.6981   -0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9399   -1.5420    0.8003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0973   -0.5321    1.0651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7534   -2.6697   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9696   -2.9879   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8583   -3.8501   -1.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1260   -4.2245   -1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9556   -5.0137   -1.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5267   -5.4325   -3.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2609   -5.0733   -3.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4482   -4.2934   -2.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1806   -3.9690   -3.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2832   -3.2169   -2.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1506   -3.0263   -2.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1642    0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600   -2.2488    0.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7821   -2.1561    0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037    2.1094   -0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    3.4876   -0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    1.8982   -1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    2.0951    0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198    1.0990   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045   -1.3292   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5416   -0.1484   -1.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812   -0.3486    2.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3289   -2.5848    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4868   -3.9055   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9441   -5.2986   -1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1750   -6.0368   -3.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9118   -5.3923   -4.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-16, 1881👍, 0💬