Molecule FYI-1005560

A

Molecule Summary:

ID: FYI-1005560
Names:
InChIKey: CUTCHJVTZMIFEC-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(C=O)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005560 Edit

Molecule Structure InChIKey: CUTCHJVTZMIFEC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(C=O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005560
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005560-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.3956   -2.9759    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -1.6334   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780   -1.2649   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    0.0316   -1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449    0.3250   -1.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263    0.8832   -1.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404    0.5233   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    1.4658   -0.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    1.2333    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    2.2329    0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    3.6437    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    4.2274    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    5.6009    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706    6.4360   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3294    5.8936   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413    4.5010   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7525    3.9574   -1.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2442    2.9010   -0.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3723    4.6630   -2.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5932    5.3357   -3.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015    5.9997   -4.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    5.9725   -4.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678    5.2857   -3.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7638    4.6282   -2.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948    0.0044    0.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033   -0.3200    1.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2189   -1.3902    2.1238 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431   -0.9435    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489   -0.6950    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -3.5644    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601   -2.8697    1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361   -3.5583    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428   -1.9125   -0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235    2.3880   -1.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.9333   -0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7444    3.6057    1.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3301    6.0127    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0010    7.5094   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0597    6.5788   -1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5086    5.3508   -3.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5943    6.5315   -5.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0637    6.4850   -5.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4499    5.2584   -3.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3838    4.0944   -1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    0.4405    1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -1.8725    1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1524👍, 0💬