Molecule FYI-1013353

A

Molecule Summary:

ID: FYI-1013353
Names:
InChIKey: GZABCTQOBQXZPM-UHFFFAOYSA-N
SMILES: CN(C)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

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

Molecule ID: FYI-1013353 Edit

Molecule Structure InChIKey: GZABCTQOBQXZPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013353
FYIcenter.com

 23 25  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
   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 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  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
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013353-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    0.8736    1.8234   -0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500    0.4015   -1.0824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9726    0.4931    1.1383 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -0.4361    0.0386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184   -0.1792   -0.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816    1.2341   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2606    0.7143    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    0.1147    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1897   -0.0515   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1790    0.0153    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    0.6264    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227   -0.3711    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2859   -0.5002   -1.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095   -0.2435   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212   -0.3856    1.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638    0.8665   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751   -1.5451    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    0.9304   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685   -1.4812    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4142   -0.8949   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4335   -0.8395    0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7938    1.1013   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9090   -1.3932    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417    1.8415   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    1.9117    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9521   -0.4849    0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653   -0.5555   -0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6093    0.4868   -2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2684   -0.5423   -2.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217   -1.3764    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3463   -0.3464    2.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0502    1.8170   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -2.5157    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4094    1.9164   -0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085   -2.4223    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2924   -1.2516   -1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3251   -1.1532    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8833    0.9844   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5535    1.7239    0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5326    1.6369   -1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9832   -1.1774    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7087   -2.0263   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7165   -1.9597    0.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 28  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 909👍, 0💬