Molecule FYI-1013341

A

Molecule Summary:

ID: FYI-1013341
Names:
InChIKey: QFGDNCRJXYJOHX-UHFFFAOYSA-N
SMILES: Nc3cccc(NC(=O)CCc2nc1ccccc1[nH]2)c3

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

Molecule ID: FYI-1013341 Edit

Molecule Structure InChIKey: QFGDNCRJXYJOHX-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3cccc(NC(=O)CCc2nc1ccccc1[nH]2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013341
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 N   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 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  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-1013341-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.1772    0.7858   -3.8711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775    0.5783   -2.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6384    1.6442   -1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932    1.4899   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343    0.2788   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -0.7845   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -2.0237   -1.0537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4077   -2.3751    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475   -1.6873    1.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0367   -3.7469   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5530   -3.5855   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2509   -4.9000   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1693   -5.8450   -0.9582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0191   -6.8394   -0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3301   -8.0689   -1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2451   -8.9147   -0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8378   -8.5440    0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5402   -7.3199    1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6246   -6.4976    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1148   -5.2594    0.9605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1748   -0.6154   -2.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647    1.5334   -3.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -0.0587   -4.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749    2.6055   -1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    2.3165    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6166    0.2141    0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849   -2.7062   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834   -4.3445    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7167   -4.2632   -1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8850   -3.0182   -0.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8542   -2.9972    0.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8692   -8.3481   -2.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4963   -9.8707   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5463   -9.2191    1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0028   -7.0320    2.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3471   -4.7007    1.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1127   -1.4148   -3.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2024-12-18, 555👍, 0💬