Molecule FYI-1007862

A

Molecule Summary:

ID: FYI-1007862
Names:
InChIKey: BEUDVLBOKBVZHR-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc2ccccc2CN3CCOCC3)n4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007862 Edit

Molecule Structure InChIKey: BEUDVLBOKBVZHR-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc2ccccc2CN3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007862
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    8.3999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007862-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    4.6065    0.6128   -1.9984 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195   -0.1394   -2.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4591    0.4123   -3.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1985   -0.3340   -4.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7841   -1.6206   -4.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6230   -2.1579   -4.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789   -1.4228   -3.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7619   -1.9999   -2.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970   -2.1772   -1.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2840   -2.6977   -0.9997 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0065   -2.9824    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993   -2.7736    1.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1263   -2.2148    0.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -1.8450    2.0852 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3372   -1.6700    2.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790   -0.8544    1.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253   -0.5684    1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0526   -1.0919    2.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3246   -1.8662    3.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643   -2.1378    3.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2010   -2.8902    4.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8597   -2.0663    5.6736 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2044   -2.8804    6.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445   -3.2465    6.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491   -2.0806    6.1641 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059   -1.2618    5.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838   -0.9143    5.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4293   -1.9138   -0.3054 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7564    1.4188   -3.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0990    0.0856   -4.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3705   -2.2127   -5.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3249   -3.1716   -4.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663   -2.4387   -3.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183   -3.3914    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -3.0451    2.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5418   -0.9358    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6048   -0.3968    0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822    0.0873    0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973   -0.8699    2.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8095   -2.2431    4.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8687   -3.6957    4.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338   -3.4047    4.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157   -2.2922    7.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -3.7862    6.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3053   -3.7591    7.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -3.9276    5.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215   -0.3353    5.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570   -1.7585    4.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0249   -0.2541    6.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720   -0.3066    4.5571 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
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  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 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1020👍, 0💬