Molecule FYI-1015613

A

Molecule Summary:

ID: FYI-1015613
Names:
InChIKey: OYNOCRWQLLIRON-UHFFFAOYSA-N
SMILES: CC3(C)CC(NC(=O)c2cccc(C(=O)NC1CC(C)(C)NC(C)(C)C1)c2)CC(C)(C)N3

Received at FYIcenter.com on: 2025-09-15

Molecule ID: FYI-1015613 Edit

Molecule Structure InChIKey: OYNOCRWQLLIRON-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3(C)CC(NC(=O)c2cccc(C(=O)NC1CC(C)(C)NC(C)(C)C1)c2)CC(C)(C)N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015613
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.2244    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4368    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    6.1124    0.0000 C   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 30 24  1  0  0  0  0
 31 24  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015613-3D
FYIcenter.com

 74 76  0     0  0  0  0  0  0999 V2000
   -3.5463    2.7238   -0.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8572   -0.2250   -1.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4742   -1.9353    0.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920   -1.3801    0.6853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    0.5070   -0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919    0.8363    0.0579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4738   -0.6102    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7108   -2.0915   -0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6251   -2.1373    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9826   -0.1475   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3439   -0.0191   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -0.0284   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0609    0.0063    1.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3094   -1.4527   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3950   -1.2176    0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7323    0.7429    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9649   -0.8350    2.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4766    0.3528    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4912   -1.5613   -2.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5340   -3.6128   -1.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6575   -3.0939    1.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173   -3.0226   -0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715   -0.4520   -1.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2027    0.6374    0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7170    1.8541   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638    0.6807   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861    2.2318   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0238    1.6489   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    1.2938   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    3.5089    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    2.9339    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729    3.8639    0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8803    0.6188   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3654   -0.3894   -1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1158    1.0375    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4501   -0.5427    1.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720   -2.0569   -0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8202   -1.4729   -1.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4729   -1.7944    0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392   -0.8354    1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7278    1.1969    1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.5825   -0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4285   -2.2733    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6800   -1.9955    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9839   -1.2398    2.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9684    0.1032    3.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3177   -1.5401    3.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6391    1.2344    1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4536   -0.1232    0.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1401    0.7315   -0.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5211   -0.4725   -2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5238   -1.9294   -2.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0261   -1.8981   -2.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9484   -3.8186   -1.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104   -4.0779   -0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5015   -4.1176   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7332   -3.6795    1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943   -3.7996    1.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7656   -2.5404    2.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3031   -2.4594   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012   -3.7476   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   -3.5966   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5721    0.4598   -2.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918   -1.1713   -1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068   -0.8432   -2.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0909    0.8686    1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1312    0.0662    0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3267    1.5883   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -0.1358    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810    1.5279    0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5687    0.2986   -0.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348    4.2428    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029    3.2600    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6421    4.8664    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  2  0  0  0  0
  2 26  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 43  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 44  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 69  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 70  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 14  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 71  1  0  0  0  0
 30 32  2  0  0  0  0
 30 72  1  0  0  0  0
 31 32  1  0  0  0  0
 31 73  1  0  0  0  0
 32 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 800👍, 0💬