Molecule FYI-1007836

A

Molecule Summary:

ID: FYI-1007836
Names:
InChIKey: VSFKTWAAAYICHQ-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)c4Cl

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007836 Edit

Molecule Structure InChIKey: VSFKTWAAAYICHQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007836
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    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
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    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
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 Cl  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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  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
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
 30  8  2  0  0  0  0
 30  4  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007836-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -1.5882   10.2772   -7.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5532   10.3526   -6.3260 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6047   11.6047   -5.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854    9.1535   -5.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2719    8.0433   -6.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    6.8461   -5.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6480    6.7448   -4.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    7.8381   -3.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077    7.7202   -2.3416 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915    6.6045   -1.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    5.6266   -2.5382 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127    4.6231   -1.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5440    4.5619   -0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748    5.5934    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    5.5023    1.5851 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497    6.0984    2.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903    7.0915    2.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112    7.6861    3.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    8.9409    2.7125 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    7.2660    4.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    6.2450    4.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2121    5.6309    3.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745    4.6283    4.3626 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    3.4517    3.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    2.1403    4.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    2.1341    5.6411 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    3.2309    6.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713    4.5711    5.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    6.6078   -0.4396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9303    9.0577   -4.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102   10.3694   -3.6472 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   12.1173   -6.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    8.1099   -7.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    5.9866   -5.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864    5.7991   -3.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6623    8.3302   -1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039    3.8417   -2.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    3.7203   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024    5.3322    1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760    7.4496    1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043    7.7098    5.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    5.9103    5.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467    3.5258    3.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9508    3.3784    2.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6299    1.3035    3.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1008    1.9567    4.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    3.1674    7.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    3.1176    6.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6646    4.6462    5.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305    5.3989    6.3820 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 32  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 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  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 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  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 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  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 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 488👍, 0💬