Molecule FYI-1013349

A

Molecule Summary:

ID: FYI-1013349
Names:
InChIKey: VLBSSQVDAGHOQC-UHFFFAOYSA-N
SMILES: NC(=O)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

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

Molecule ID: FYI-1013349 Edit

Molecule Structure InChIKey: VLBSSQVDAGHOQC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013349
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 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    0.0000 O   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  2  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-1013349-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
   -0.1998    3.3875   -0.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2142   -2.1797    0.5538 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689    0.3410   -1.1889 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    0.3836    0.8568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0816    1.6327    0.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948   -0.6802   -1.0811 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8644    2.5851   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052    1.1125   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    3.2330    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6296   -0.9732   -0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1728   -0.9202    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    2.7768    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548   -2.1674   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -2.1202    1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2916    0.9313    0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -3.3521   -0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1981   -3.3312    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993    1.3798   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5776   -0.2081    1.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791   -0.4508    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    0.6888   -0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714   -0.8991    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9241   -1.1702   -0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8156    2.9810    0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897    2.9098   -1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693    4.3241    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.9944    1.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915    0.6760   -2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -2.1810   -2.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -2.1146    2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5189    1.2404    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -4.3071   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -4.2685    0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477    2.2537   -1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783   -0.5685    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0510    1.0931   -1.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716   -1.7843    1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6412    0.1330   -1.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6737   -1.1608   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 23  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 28  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 31  1  0  0  0  0
  6 23  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 997👍, 0💬