Molecule FYI-1013332

A

Molecule Summary:

ID: FYI-1013332
Names:
InChIKey: PZTYMXWZKCJPGZ-UHFFFAOYSA-N
SMILES: Cc3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3C

Received at FYIcenter.com on: 2024-12-10

Molecule ID: FYI-1013332 Edit

Molecule Structure InChIKey: PZTYMXWZKCJPGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013332
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   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  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013332-3D
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
    1.2572    1.9736   -0.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5226    0.4098   -1.0791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5429    0.4876    1.1421 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9623   -0.2656    0.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4784    1.2994    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406    0.7370    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858    0.2130    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7469   -0.0835   -0.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7350   -0.0245    0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0314    0.7689   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3732   -0.1570    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525   -1.2001    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1544    0.0573   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617   -1.3073    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8305   -0.5614   -1.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8626   -0.4646    1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753    1.1003   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658    1.2075   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9444   -0.9949   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9621   -0.9484    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3766   -2.4448    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6413    0.1977   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    1.9767    0.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6040   -1.2176    0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886   -2.2860    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8142   -0.5966   -2.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8864   -0.4325    2.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331    2.0349   -0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8197    2.1945   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8124   -1.3754   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8424   -1.2926    1.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9989   -2.5200   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157   -2.4603    0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523   -3.3446    0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808   -0.2356    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0643   -0.2935   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9492    1.2485   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 27  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 18  1  0  0  0  0
 13 22  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1273👍, 0💬