Molecule FYI-1016305

A

Molecule Summary:

ID: FYI-1016305
Names:
InChIKey: DBAFUWIIGHSXKE-UHFFFAOYSA-N
SMILES: C=C(CN(C)C(C)c1ccccc1)C2CC=C(CO)CC2

Received at FYIcenter.com on: 2025-12-03

Molecule ID: FYI-1016305 Edit

Molecule Structure InChIKey: DBAFUWIIGHSXKE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CN(C)C(C)c1ccccc1)C2CC=C(CO)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016305
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    6.1090    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5527    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    3.5271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2181    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6617    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6617    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    1.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2181    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6654    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    5.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6654    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    5.4133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9890    5.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1380    2.1981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    0.7054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109    2.1981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4071    5.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    7.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    5.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    5.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8835    4.2325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8835    1.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    1.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5527    1.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090    1.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4490    5.6842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8144    6.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    7.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7382    7.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490    7.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    4.2325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    3.0107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1818    2.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5926    2.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  2 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 20  1  0  0  0  0
 19 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016305-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    1.0547    0.7482   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    0.2126   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    0.6683    1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628    1.1862    2.2930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024    0.1409    2.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819    1.8326    3.3539 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1072    0.9144    4.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149    3.1515    2.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779    4.3442    2.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    5.5699    2.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    5.6232    2.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5853    4.4508    2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    3.2268    2.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296   -0.9025   -0.8808 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1242   -1.4554   -2.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395   -0.5333   -3.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695    0.4272   -3.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    1.4091   -4.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.7298   -4.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337    0.5904   -2.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191   -0.4938   -1.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281    1.5372    0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.4333   -1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7247    1.4482    0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -0.1615    1.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277   -0.3951    2.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609    0.5915    3.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9604   -0.6175    3.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    2.1237    4.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    0.4784    3.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    0.0913    4.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6768    1.4744    4.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    4.3235    3.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626    6.4841    2.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2837    6.5755    1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5994    4.4868    1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6290    2.3305    2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677   -1.7458   -0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903   -1.6673   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504   -2.4162   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213   -0.6414   -3.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186    1.2517   -5.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    1.3260   -5.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    2.7233   -3.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    1.5702   -2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1742    0.5779   -3.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777   -0.1568   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8068   -1.3817   -1.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 314👍, 0💬