Molecule FYI-1007871

A

Molecule Summary:

ID: FYI-1007871
Names:
InChIKey: AWMHRZWBASWXJX-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2ccccc2Cl)n3)c4

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

Molecule ID: FYI-1007871 Edit

Molecule Structure InChIKey: AWMHRZWBASWXJX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2ccccc2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007871
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.0622   10.4999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    4.8499    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3999    0.0000 O   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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 O   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
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29 18  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007871-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    3.1326    1.1572   -1.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    0.5823   -0.4991 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3150    0.1805   -0.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445    0.4030    0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -0.3685    1.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329   -0.4195    3.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207    0.3007    3.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0696    0.4207    4.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410   -0.5709    5.3427 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2809   -0.7572    4.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3519   -1.8237    3.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8123   -3.0754    4.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4620   -2.9274    4.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3477   -1.8645    5.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2039    1.0403    2.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437    1.7110    2.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174    2.9187    1.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1643    3.1877    1.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    4.3979    1.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5706    5.3009    0.6470 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2790    4.9588    0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819    5.8483    0.3980 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490    7.2473    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1033    7.9057    1.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0977    9.2969    1.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2487   10.0606    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919    9.4327   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    8.0373   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    7.3141   -1.3635 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8756    3.7838    1.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5607    1.0529    0.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548    0.5403   -1.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3122   -1.7592    6.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7945    1.7293    3.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9263    2.4759    1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.6883    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    5.3986    0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7636    9.7766    2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574   11.1441    0.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374   10.0340   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    1.6255    0.1241 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 31  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  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  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 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 170👍, 0💬