Molecule FYI-1016161

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Molecule Summary:

ID: FYI-1016161
Names:
InChIKey: NKWIZMXBSMSUFI-UHFFFAOYSA-N
SMILES: SC2=NNC(CN1CCOCC1)N2c3ccccc3

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016161 Edit

Molecule Structure InChIKey: NKWIZMXBSMSUFI-UHFFFAOYSA-N

Molecule Structure SMILES String: SC2=NNC(CN1CCOCC1)N2c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016161
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0330    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7753    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    4.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    6.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559    6.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066    4.4715    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
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  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  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016161-3D
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.8049    0.2229    0.0425 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    0.1867   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487   -0.9741   -0.0600 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4977   -0.7249   -0.2548 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6826    0.7362   -0.4108 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3215    1.0810   -1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147    0.4396   -2.1342 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7603    0.8855   -1.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113    2.2065   -1.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7627    2.1775   -3.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022    1.9209   -3.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    0.5810   -3.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298    1.3142   -0.3409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    2.5264    0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309    3.3473   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6659    4.5117    0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614    4.8972    1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214    4.1177    2.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    2.9480    1.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6660   -1.1090    0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359   -1.0720    0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3383    1.0856    0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3970    2.1716   -1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903    0.7615   -2.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    0.0985   -1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4996    0.9412   -0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3369    2.3668   -1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564    3.0642   -1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9265    1.8880   -4.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030    2.7584   -3.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628   -0.2203   -3.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.4021   -4.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701    3.0621   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    5.1072    0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578    5.7814    2.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    4.4104    3.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5857    2.3561    1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  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 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

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2026-01-24, 915👍, 0💬