Molecule FYI-1013419

Home > Molecule

A

Molecule Summary:

ID: FYI-1013419
Names:
InChIKey: FTDYSPIUVJAKFK-UHFFFAOYSA-N
SMILES: Cc3cccc(NC(=O)CCc2nc1ccccc1o2)c3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013419 Edit

Molecule Structure InChIKey: FTDYSPIUVJAKFK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(NC(=O)CCc2nc1ccccc1o2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013419
FYIcenter.com

 21 23  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
   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 O   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  9  2  0  0  0  0
 10  4  1  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  2  0  0  0  0
 15 14  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
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013419-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    3.0929    0.3889    1.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917    1.9830    0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3112   -0.2474   -0.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2075    0.5107   -1.2132 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422    1.2955   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394    0.2185   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    0.7304   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3093   -0.0965    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758   -0.0206   -0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737    0.7801   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7209   -0.1322   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4972   -1.2772   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219   -0.5865    1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5376   -0.4639   -1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8867   -1.1632   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2947    1.1236    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739   -1.0245    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5821   -0.9654   -0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4802    0.0942    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6842    1.2377    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7382   -2.3855   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880    2.0125   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471    1.8684    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -0.4877    0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288   -0.3514   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581   -1.1986   -0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -2.2565   -0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2282   -0.6280    2.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6323   -0.4228   -2.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490    2.0536    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034   -1.4194    1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4927   -1.3148   -1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5617    0.1966    0.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1477    2.2164    0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2395   -3.2414    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6863   -2.2398    0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9542   -2.6319   -1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 912👍, 0💬