Molecule FYI-1000438

Home > Molecule

A

Molecule Summary:

ID: FYI-1000438
SMILES: COc1ccc(cc1OC)C1CC(=NN1)C1=Cc2ccccc2OC1=O

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

Molecule ID: FYI-1000438 Edit

Molecule Structure SMILES String: COc1ccc(cc1OC)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000438
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
   14.4167    4.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    5.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    4.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    5.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    4.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    3.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    3.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    2.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167    3.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756    3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8387    1.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    5.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  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
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000438-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    1.4776   -0.8325   -0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020   -0.0307   -0.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -0.6117    0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1396   -1.9279    1.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0066   -2.5052    2.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0944   -1.7973    2.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2647   -0.4681    2.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3886    0.1359    1.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7335    1.4383    1.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893    2.2045    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0477   -2.3940    3.7294 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5989   -2.0862    5.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414   -3.3090    5.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0306   -4.3104    4.6263 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0171   -3.8588    3.8029 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7803   -3.3766    6.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   -2.6366    7.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0286   -3.4654    8.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3009   -3.0086    8.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725   -3.9289    9.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9544   -5.2859    9.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643   -5.7368    9.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.8258    8.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5523   -5.3277    7.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1183   -4.6709    6.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -5.0923    6.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9637   -0.2265   -1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384   -1.1245    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952   -1.7080   -1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194   -2.5466    0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7946   -3.5270    2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0903    0.1225    2.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2821    3.2290    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626    2.2404    0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412    1.8421   -0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0670   -2.0442    3.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518   -1.1491    5.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537   -2.1195    5.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0128   -4.3063    2.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5289   -1.6258    7.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843   -1.9700    8.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2968   -3.5967    9.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7314   -6.0007    9.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4246   -6.7947    9.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 1487👍, 0💬