Molecule FYI-1000436

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Molecule Summary:

ID: FYI-1000436
SMILES: O=C1Oc2ccccc2C=C1C=1CC(NN=1)c1ccccc1

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

Molecule ID: FYI-1000436 Edit

Molecule Structure SMILES String: O=C1Oc2ccccc2C=C1C=1CC(NN=1)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000436
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.8176    0.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000436-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   -2.9431    0.4542   -1.2683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9291    0.0535   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068    0.8682   -0.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564    0.4558    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.3475    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975    0.9801    0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857   -0.2696    1.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031   -1.1571    1.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4248   -0.7951    0.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226   -1.6854    0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8374   -1.2914   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -2.3050   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8360   -2.2867   -1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7026   -3.5073   -1.1671 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0862   -4.0668    0.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -3.2799    0.5852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1752   -3.1953   -0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1133   -3.7615   -1.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4795   -3.5216   -1.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9268   -2.7077   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0081   -2.1184    0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6414   -2.3573    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    2.3152   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    1.6644    0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6035   -0.5544    1.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6976   -2.1273    1.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346   -2.6776    0.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380   -2.4043   -2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4145   -1.3618   -1.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783   -4.2301   -1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7677   -4.4180    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7879   -4.4014   -2.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1950   -3.9747   -2.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9910   -2.5320   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3552   -1.4753    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9405   -1.8891    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  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 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  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 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 1413👍, 0💬