Molecule FYI-1015327

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A

Molecule Summary:

ID: FYI-1015327
Names:
InChIKey: IIKYUUPZRRHBNV-UHFFFAOYSA-N
SMILES: c3ccc2nc(OCC1CCNCC1)ccc2c3

Received at FYIcenter.com on: 2025-08-05

Molecule ID: FYI-1015327 Edit

Molecule Structure InChIKey: IIKYUUPZRRHBNV-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc2nc(OCC1CCNCC1)ccc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015327
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 N   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
    2.4249    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  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 12  3  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015327-3D
FYIcenter.com

 36 38  0     0  0  0  0  0  0999 V2000
    0.8224   -0.8488    0.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    0.3112   -0.6356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101    0.4118    0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.1199    0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5091   -0.7920   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013    1.4306    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251   -0.9729   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    1.1622    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    0.3885    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453   -0.8085    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566   -1.9904    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499    0.4837   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -0.6688    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   -1.9131    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722    1.7197   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   -0.5567   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4596    1.8315   -0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2540    0.6920   -0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.4037    1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -0.3663   -1.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -1.7769   -0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.0330    1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5551    2.0248   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960   -1.5321    0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553   -1.5717   -1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400    2.1165    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5898    0.7011    1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084    0.8952   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    1.0328    1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    0.1457   -0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -2.9478    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2223   -2.8293    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721    2.6274   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2893   -1.4424   -0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9160    2.8099   -0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3325    0.7747   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
  3 10  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

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2025-08-18, 565👍, 0💬