Molecule FYI-1007879

A

Molecule Summary:

ID: FYI-1007879
Names:
InChIKey: IEBGMDYRRAVQOT-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)c4

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

Molecule ID: FYI-1007879 Edit

Molecule Structure InChIKey: IEBGMDYRRAVQOT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007879
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
    0.0000    2.8000    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
    1.2124    4.9000    0.0000 C   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
    2.4248    2.8000    0.0000 C   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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   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
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  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
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007879-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.5858   -1.0989    1.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670   -0.5282    0.8611 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1078   -0.9689   -0.3239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1855    0.5400    1.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748    0.9026    2.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3174    1.8878    3.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818    2.4787    3.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0195    2.0997    1.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1905    2.6766    1.3642 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3127    3.0512    2.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9977    4.1042    1.6359 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0988    4.4523    2.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5313    3.7946    3.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7525    2.7455    3.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036    2.0265    5.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6541    2.5485    6.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4526    3.8770    6.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0428    4.3859    7.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8217    3.5637    8.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3888    4.1191    9.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3376    4.4345   10.8570 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8597    5.1951   12.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6465    4.3350   13.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.2789   13.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3280    2.4494   12.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6094    3.2529   11.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0041    2.2244    8.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4157    1.7200    7.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6567    2.3587    3.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3277    1.1667    1.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -1.7042   -0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7884    0.4167    3.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    2.1795    4.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9825    3.2339    3.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    3.4176    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6451    5.3049    1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4324    4.0959    3.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009    1.3130    5.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154    4.5367    6.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8733    5.4255    8.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9117    5.0478    9.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1566    3.4496   10.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9948    5.6237   12.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4649    6.0446   11.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9549    4.9518   13.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5545    3.9132   12.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6119    1.7574   12.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1497    1.8513   12.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6687    3.6284   11.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3091    2.5774   10.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991    1.5595    8.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5760    0.6792    6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229    0.8899    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  2  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 156👍, 0💬