Molecule FYI-1001523

Home > Molecule

A

Molecule Summary:

ID: FYI-1001523
SMILES: COC1CCCCC1C1NC(CN1C1CCC(CC1)Cl)C12CC3CC(C2)CC(C1)C3

Received at FYIcenter.com on: 2022-08-24

Molecule ID: FYI-1001523 Edit

Molecule Structure SMILES String: COC1CCCCC1C1NC(CN1C1CCC(CC1)Cl)C12CC3CC(C2)CC(C1)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001523
FYIcenter.com

 30 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    4.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    8.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925    7.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925    6.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    4.4997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2922    5.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    6.2733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    7.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122    7.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1755    9.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347    9.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308    9.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676    8.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   11.2260    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1741    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0418    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3546    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3306    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3008    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    1.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    2.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624    0.2387    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
  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  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
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  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
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 21  1  0  0  0  0
 30 28  1  0  0  0  0
 30 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001523-3D
FYIcenter.com

 73 78  0  0  1  0  0  0  0  0999 V2000
    5.0141    3.8760    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486    4.4694    0.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    4.1685   -0.0584 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6336    5.2204    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799    5.0395   -0.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466    3.6096   -0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    2.6126   -1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    2.7098    0.0223 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6166    2.2294    1.4246 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5619    2.5193    2.5052 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    1.6738    3.6548 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8064    0.4135    2.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1665    0.8401    1.6757 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.1435   -0.2317    0.6494 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4765   -1.5276    1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184   -2.8456    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2537   -2.9621   -0.0040 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7195   -1.7521   -0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944   -0.4381   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746   -4.4013   -1.0727 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3189    2.2196    4.7884 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0870    2.6291    4.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719    3.1322    5.4374 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3042    4.3597    6.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736    3.9745    6.6375 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9622    3.4532    5.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920    2.8745    7.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    1.6403    7.0511 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1381    1.1338    5.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280    2.0209    6.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9609    2.7845    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    4.1897    1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3813    4.2239   -0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532    4.3016   -1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758    6.2147   -0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2592    5.2107    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8153    5.3114   -1.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    5.7262   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    3.5048   -1.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040    3.3957    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823    2.8159   -2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    1.6174   -1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106    2.0749   -0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7327    2.8413    1.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5861    3.5148    2.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2258    1.4486    4.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1169   -0.1742    3.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6871   -0.2097    2.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4298    0.0857   -0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186   -1.3931    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618   -1.6802    2.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055   -3.0147   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6452   -3.6539    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265   -3.1501    0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384   -1.7054   -1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968   -1.8435   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905    0.3038   -0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282   -0.2582    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816    1.7818    3.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056    3.4323    3.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9575    3.4107    5.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    4.7563    6.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942    5.1581    5.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427    4.8509    7.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481    3.1814    5.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320    4.2624    4.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2593    3.2411    8.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8597    2.6090    8.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318    0.8511    7.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.2261    5.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171    0.8373    6.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863    2.3579    7.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    1.1419    6.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 2391👍, 0💬