Molecule FYI-1005857

A

Molecule Summary:

ID: FYI-1005857
Names:
InChIKey: YYTKSKISDNZTOL-UHFFFAOYSA-N
SMILES: COc3cc2C(=O)N1CCCCC1C(C(=O)NC(C)C)c2cc3OC

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005857 Edit

Molecule Structure InChIKey: YYTKSKISDNZTOL-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2C(=O)N1CCCCC1C(C(=O)NC(C)C)c2cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005857
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    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
    7.2747    6.3000    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
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005857-3D
FYIcenter.com

 51 53  0     1  0  0  0  0  0999 V2000
   -0.5099   -2.6024   -1.8863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    1.3956   -1.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6149    2.0596    1.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5622    0.0447   -0.6269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -1.8845   -0.4906 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    1.9171    0.2809 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466   -1.0442    0.6256 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9460    0.3171    0.6749 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4972   -1.8606    1.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935   -3.1715    1.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0269   -3.0704   -0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557   -3.9565    0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174    0.2155    0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859   -1.8319   -1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995   -0.7952   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6082    1.2639   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121    1.1738    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -0.8456   -0.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7672    1.1185    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2411    0.1096   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088    2.8631   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6587    2.1423   -1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313    3.9222    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8009    3.2426    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4043   -0.7226    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218   -0.8712    0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    0.7267    1.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4421   -2.0966    2.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607   -1.2856    2.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -3.7944    2.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3658   -2.9392    1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -2.7447   -0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809   -3.6283   -1.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6366   -4.8078    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410   -4.3632    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474    1.9716    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -1.6272   -1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698    1.6736    1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    3.3509   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    2.8489   -1.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2963    1.6198   -0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2799    1.3944   -1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    4.4415    1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    4.6693   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    3.4764    1.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164    2.9981   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    3.7784    0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5072    3.8898    0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0859   -1.7698    0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4254   -0.6723   -0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3950   -0.3140    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 16  2  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1978👍, 0💬