Molecule FYI-1014393

A

Molecule Summary:

ID: FYI-1014393
Names:
InChIKey: NMRISADFKIUHPF-UHFFFAOYSA-N
SMILES: CC(C)N3CCC(OC(=O)c1cccc2ccccc12)CC3

Received at FYIcenter.com on: 2025-04-12

Molecule ID: FYI-1014393 Edit

Molecule Structure InChIKey: NMRISADFKIUHPF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)N3CCC(OC(=O)c1cccc2ccccc12)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014393
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014393-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.3931    0.3329   -0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.0138    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585    0.3420    1.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0630   -1.3619    0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -2.4112    0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7339   -3.7876    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4578   -4.1175   -0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170   -4.2280   -2.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662   -5.4177   -2.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348   -6.3591   -1.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -5.4231   -3.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515   -4.6571   -4.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -4.7005   -5.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -5.5065   -5.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -6.2723   -4.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1955   -7.0797   -4.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859   -7.8534   -3.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8344   -7.8209   -2.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6935   -7.0239   -2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521   -6.2396   -3.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4496   -3.0020   -1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765   -1.6272   -1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186    1.3925   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -0.2511   -0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987    0.1551   -1.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    0.7073   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164   -0.2813    1.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7256    1.3821    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    0.1980    2.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   -2.4240   -0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -2.2454    1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -4.5305    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4475   -3.8105    1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0149   -5.0579   -0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474   -4.0400   -4.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277   -4.1199   -6.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2807   -5.5375   -6.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8013   -7.1185   -5.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4723   -8.4771   -3.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1293   -8.4174   -1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434   -7.0324   -1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9065   -3.1769   -2.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2545   -3.0108   -0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1012   -1.5614   -2.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5616   -0.8748   -1.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

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