Molecule FYI-1002197

A

Molecule Summary:

ID: FYI-1002197
Names:
InChIKey: MCAJXCFWQNZXQF-JSKKQJDMSA-N
SMILES: Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002197 Edit

Molecule Structure InChIKey: MCAJXCFWQNZXQF-JSKKQJDMSA-N

Molecule Structure SMILES String: Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002197
FYIcenter.com

 41 46  0  0  0  0  0  0  0  0999 V2000
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    6.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768    8.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    4.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    5.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  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
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 23 30  2  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 20 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002197-3D
FYIcenter.com

 66 71  0  0  1  0  0  0  0  0999 V2000
    0.5969   -0.6489    3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457   -0.3780    2.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -1.2240    1.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486   -0.8412    0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6732    0.4268    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1952    1.1115   -0.4288 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.2198    2.7013   -0.8652 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.2884    3.4270    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6883    4.9064   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4981    5.8223   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8351    5.3737   -1.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2595    3.9307   -1.4923 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0802    4.2695   -0.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693    3.1051   -2.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    2.5582   -3.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.8114   -4.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    3.3702   -3.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4109    3.0877   -4.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200    4.1832   -4.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    5.4890   -4.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4736    5.7546   -4.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413    4.6424   -3.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6340    4.4579   -3.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4934    5.1162   -4.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218    2.0645   -1.5852 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6573    0.5717   -2.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127    0.2160   -2.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743   -0.8352   -3.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547   -1.5951   -4.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2902   -1.3274   -3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6433   -0.2611   -2.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919    2.2633    0.2309 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6356    1.6441    1.5682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7562    1.1124    1.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1787    1.9133    2.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068    1.1696    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557    0.8037    1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -1.6155    3.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5422    0.1262    3.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074   -0.6151    2.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5604   -2.2042    2.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4612   -1.5450    0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9313    0.3122   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8467    2.3331   -1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9519    3.4568    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2209    2.8531    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2942    5.2742    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3133    4.9960   -1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    5.8027    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8040    6.8718   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0088    6.0877   -1.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5700    5.5105   -2.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545    4.6347    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425    2.0777   -4.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.0260   -4.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5618    6.3204   -4.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110    6.7193   -4.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0273    2.5307   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.7812   -2.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0703   -1.0391   -3.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791   -2.3655   -4.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0617   -1.9027   -4.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7015   -0.0474   -2.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856    2.6115    0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2108    2.1517    0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4775    1.4943    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  2  0  0  0  0
  3  4  2  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  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 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  2  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 1218👍, 0💬