Molecule FYI-1007866

A

Molecule Summary:

ID: FYI-1007866
Names:
InChIKey: IQIMOSKQNPQKIE-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2)n3)c4

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

Molecule ID: FYI-1007866 Edit

Molecule Structure InChIKey: IQIMOSKQNPQKIE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2cccc(Cl)c2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007866
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.0999    0.0000 Cl  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
    2.4249    9.0999    0.0000 C   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
    3.6373    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
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    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
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
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  7  2  1  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
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 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 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-1007866-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    3.2386   -1.6239   -0.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.6215   -0.6503 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2258   -0.7359   -0.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172    0.6618   -1.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065    1.7880   -0.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8296    3.0263   -1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1736    3.1829   -1.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    4.6073   -2.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    4.9580   -3.5083 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    6.4123   -3.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7193    7.3202   -3.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744    6.9969   -4.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2845    5.6248   -4.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    4.6508   -4.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0062    2.0361   -1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3213    1.9875   -2.2985 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3853    2.8959   -2.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3867    2.9663   -3.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3846    3.8765   -2.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4304    4.6498   -1.7018 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    4.4665   -0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189    5.1830    0.4108 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546    6.4548    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5446    6.7524    1.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1326    7.9904    2.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2146    8.9594    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184    8.6793   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3833    2.3626   -3.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5355    8.1920    3.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0772   -0.1101   -1.4685 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 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
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  8 35  1  0  0  0  0
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 23 29  2  0  0  0  0
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 26 27  2  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1195👍, 0💬