Molecule FYI-1005693

A

Molecule Summary:

ID: FYI-1005693
Names:
InChIKey: GLNOSFGSNDKLOC-OXQOHEQNSA-N
SMILES: CCN(CC)C(=O)[C@@H]2C=C1c3cccc4[nH]cc(C[C@H]1N(C(C)C)C2)c34

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

Molecule ID: FYI-1005693 Edit

Molecule Structure InChIKey: GLNOSFGSNDKLOC-OXQOHEQNSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]2C=C1c3cccc4[nH]cc(C[C@H]1N(C(C)C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005693
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    3.6293    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    6.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    4.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2586    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7968    2.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6179    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7968    4.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8814    6.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    6.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4751    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2586    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    4.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  1  0  0  0
 10  9  1  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  1  0  0  0  0
 15 14  2  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
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 20  6  1  0  0  0  0
 21 18  2  0  0  0  0
 21 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005693-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -2.4082    1.8018   -1.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -1.8882    0.1388 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.2707   -0.1896    0.2216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0649    1.0085    0.1954 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733   -1.1818   -0.2399 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7141    0.3525    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958   -1.8825    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642   -1.1392   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396    0.2183    0.3891 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5375   -3.2514   -0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -1.0617    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    1.1136   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404    0.9622    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264    0.3245    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014    0.8624    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590    1.0811   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688   -1.3613    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -3.2303   -1.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -4.1055    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    2.4828   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6095    2.2249   -0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    3.0225   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1532    1.7935   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4364    0.1402    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8465    1.0490   -1.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2984    0.8537    2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295   -1.2687   -1.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978   -2.8655    0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -2.0260    1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5903   -1.6856   -0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405   -0.9433   -1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503    0.0822    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -3.7442   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600    2.0190    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924   -2.2913    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0935   -3.0206   -1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511   -2.5513   -2.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8832   -4.2307   -2.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965   -3.7802    0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167   -4.0963    1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4323   -5.1474    0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    3.1483   -0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2784   -0.1139    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6048    2.6516   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852    4.0892   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8637    2.0664    0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    2.7244   -0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4764   -0.1796    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8511   -0.7793    1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1428    0.7982   -2.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2893    0.1137   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6454    1.6624   -1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825    1.2221    2.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9693    1.7177    2.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5574    0.1784    3.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 43  1  0  0  0  0
  4 16  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 21  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 435👍, 0💬