Molecule FYI-1005756

A

Molecule Summary:

ID: FYI-1005756
Names:
InChIKey: VJZNOZWPSWYZSV-HVXYMJQESA-N
SMILES: CC(NC(=O)[C@@H]2C=C1c4cccc3NCC(C[C@H]1N(C)C2)c34)c5ccccc5

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005756 Edit

Molecule Structure InChIKey: VJZNOZWPSWYZSV-HVXYMJQESA-N

Molecule Structure SMILES String: CC(NC(=O)[C@@H]2C=C1c4cccc3NCC(C[C@H]1N(C)C2)c34)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005756
FYIcenter.com

 28 32  0  0  1  0  0  0  0  0999 V2000
    8.4700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    1.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6801    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1001    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1001    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6801    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4289    1.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    2.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4289    3.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5134    5.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3831    6.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1067    5.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0501    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0501    5.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    3.4930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0958    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
 11  2  1  1  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  8  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
 17  7  1  0  0  0  0
  4 18  1  6  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005756-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
    6.3157   -3.1937   -5.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5295   -3.6857   -4.1805 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2577   -3.8831   -3.5063 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803   -2.8504   -2.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798   -1.6873   -2.9228 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774   -3.2290   -2.1751 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5434   -4.3208   -1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1946   -5.5892   -1.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503   -6.6990   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7923   -6.7125    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2777   -7.9232    0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -9.1480    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023   -9.1184   -0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544  -10.2271   -1.0493 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -9.5246   -2.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403   -8.1677   -1.4844 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3034   -7.0125   -2.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -6.0177   -2.7114 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8614   -4.9384   -3.5248 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9273   -5.1875   -4.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556   -3.5449   -3.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201   -7.9061   -0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -4.9544   -4.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722   -4.9700   -3.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726   -6.1160   -3.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9760   -7.2629   -4.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7757   -7.2684   -4.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9753   -6.1245   -4.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7481   -2.2572   -5.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7539   -3.9169   -6.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   -3.0139   -6.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646   -2.8930   -3.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015   -4.8251   -3.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719   -2.3415   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -4.0410   -0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593   -5.8034    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1670   -7.9099    1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235  -10.0848    0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747  -10.6878   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2584  -10.1275   -2.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7435   -9.3953   -2.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522   -8.3471   -0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278   -6.4550   -1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -7.3978   -3.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835   -6.5537   -3.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407   -6.1347   -5.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616   -5.2186   -5.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927   -4.4118   -5.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257   -3.1734   -2.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843   -2.9246   -4.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043   -4.0861   -2.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3070   -6.1114   -2.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6004   -8.1523   -4.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4649   -8.1668   -5.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0446   -6.1523   -5.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6  4  1  0  0  0  0
  6 34  1  1  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  2  0  0  0  0
 10 11  2  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1434👍, 0💬