Molecule FYI-1007779

A

Molecule Summary:

ID: FYI-1007779
Names:
InChIKey: YREMIQRKWJLSNC-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc1ccccc1N2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-16

Molecule ID: FYI-1007779 Edit

Molecule Structure InChIKey: YREMIQRKWJLSNC-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc1ccccc1N2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007779
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   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    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   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
    1.2124    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  6  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-1007779-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    2.7169    3.4292    0.2409 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2979   -0.5747   -2.1681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3936    0.4473   -0.3715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -1.0122    0.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -1.3096    0.3455 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402   -1.6506   -0.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -3.4792    0.6467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8168    0.4364   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1086    0.4064   -1.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5263   -0.6869   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9086   -0.7158   -2.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700    1.0806    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    0.3688    1.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6137    2.4437    0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5072    1.0200    1.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040    3.0949    1.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507    2.3831    2.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -1.8411    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2795   -3.1640    1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -2.1723    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569   -3.9441    1.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493   -0.3661   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    0.7631    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7997   -0.2225   -1.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116    2.0358   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2059    1.0503   -1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5618    2.1795   -1.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9479    0.2926    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627    1.3998   -0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896    1.3701   -2.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406    0.2444   -1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1893   -1.6716   -0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6055   -0.6265   -0.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -0.6766   -3.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622   -1.7004   -2.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4245    3.0163    0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3119    0.4858    2.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949   -1.4612    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151    4.1564    1.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558    2.8895    2.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296   -3.5777    1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275   -4.9963    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414   -2.3746   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191    0.6843    0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3093   -1.0944   -1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235    1.1621   -2.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8891    3.1650   -1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  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  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  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, 882👍, 0💬