Molecule FYI-1014341

A

Molecule Summary:

ID: FYI-1014341
Names:
InChIKey: YGTRLBKHIZAVEL-UHFFFAOYSA-N
SMILES: C=CC1CN2CCC1CC2C(O)c3cccc4ccc(OC)cc34

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014341 Edit

Molecule Structure InChIKey: YGTRLBKHIZAVEL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC1CN2CCC1CC2C(O)c3cccc4ccc(OC)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014341
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.6870    1.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458    2.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    2.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    2.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    1.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9445    3.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182    3.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578    4.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    5.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    5.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796    4.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603    5.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    7.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    8.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9576    9.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768    8.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2358    9.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551    9.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    7.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783    6.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  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  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 24 13  1  0  0  0  0
 24 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014341-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -0.4163   -0.8067   -2.7223 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6714    2.6507    0.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863    0.4057   -1.4750 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6903    1.1542    1.0139 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6553   -0.3529   -0.7179 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5834    0.1154    0.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0675    0.5769    0.6119 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4046    2.3428    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0063    0.1105   -0.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4469    1.8628   -1.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2842   -0.3042   -1.3970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5239   -0.5177    1.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397   -1.1338   -0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214   -0.5734   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6359   -0.4586    2.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577   -2.4866   -0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -1.4076    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638   -3.3068    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.7911   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492   -2.7723    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312   -0.8522    1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    1.3261    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065    0.5058    0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    3.1308    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6781    1.4787    2.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985   -1.3962   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199    0.5805    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6909   -0.7423    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7945    1.4005    0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198    2.7700    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451    3.1361    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273   -0.9601   -0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7909    0.6175   -1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2436    2.3947   -1.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5279    2.1491   -1.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160    0.7302   -1.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9257   -1.4237    1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077   -0.2874   -3.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9158   -1.2903    2.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2830    0.4113    2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.9368   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510   -4.3648    0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635    1.4974   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436   -3.4324    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534   -1.4756    1.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    0.8551    1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    4.2027    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7644    2.6640    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319    3.0243    1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 38  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 12 15  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  2  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1546👍, 0💬