Molecule FYI-1007826

A

Molecule Summary:

ID: FYI-1007826
Names:
InChIKey: ABZTZCFVOXWVID-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4Cl

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

Molecule ID: FYI-1007826 Edit

Molecule Structure InChIKey: ABZTZCFVOXWVID-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007826
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 18 17  2  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  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-1007826-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.7517    3.4311  -12.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844    3.2016  -11.4097 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9291    4.0906  -10.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6071    2.1118  -11.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    1.8392  -11.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3352    0.7974  -11.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722    0.0658  -10.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287    0.3460   -9.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806   -0.4650   -8.4100 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -0.1037   -7.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213   -1.0902   -6.4081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.7214   -5.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706    0.5852   -4.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    1.5265   -5.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1904    2.8896   -5.3252 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915    3.9202   -5.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    3.6757   -5.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    4.7171   -5.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    6.0481   -6.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    7.0583   -6.1277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029    7.0272   -5.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407    7.3270   -6.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7326    8.5851   -7.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917    8.5671   -7.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2846    8.3056   -6.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093    6.2835   -6.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    5.2421   -5.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    5.6245   -5.9296 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    1.1787   -6.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    1.3343   -9.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462    1.4566   -9.0942 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3801    9.5381   -8.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3811    8.2702   -7.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680    7.2941   -6.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  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
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 16 27  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 150👍, 0💬