Molecule FYI-1007790

A

Molecule Summary:

ID: FYI-1007790
Names:
InChIKey: APPUPUZDFHOGIU-UHFFFAOYSA-N
SMILES: Clc1ccccc1Nc4nccc(Nc2ccccc2N3CCOCC3)n4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007790 Edit

Molecule Structure InChIKey: APPUPUZDFHOGIU-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccccc1Nc4nccc(Nc2ccccc2N3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007790
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0621    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007790-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    6.1482   -0.3821    0.3372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4392   -0.6405   -2.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5565    0.4005   -0.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -0.9810    0.7645 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -1.1051    0.2506 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3006   -1.2754   -0.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606   -3.2192    0.4058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9665    0.2791    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070    0.4575   -1.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6235   -0.8443   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0519   -0.6760   -2.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6529    1.0444    0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426    0.3708    1.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748    2.3791    0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542    1.0319    1.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9863    3.0402    1.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760    2.3666    2.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156   -1.7315    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -3.0798    0.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993   -1.8974    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9954   -3.7808    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    0.0530   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8925    0.5737   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    0.8531   -1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1769    1.8944   -0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116    2.1739   -1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    2.6946   -1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0602    0.0679    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4788    1.2258   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6591    1.4241   -2.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2362    0.3746   -1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167   -1.8230   -0.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6996   -0.8626   -0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640   -0.5693   -3.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6359   -1.6535   -2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7311    2.9223    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    0.5271    2.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -1.4629    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584    4.0797    2.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855    2.8808    2.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994   -3.5700    1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387   -4.8456    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1053   -1.8892   -0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370    0.4817   -1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653    2.3154   -0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439    2.7940   -1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083    3.7222   -1.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5 18  2  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 43  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 150👍, 0💬