Molecule FYI-1005181

A

Molecule Summary:

ID: FYI-1005181
Names:
InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N
SMILES: Cc3c(C(=O)NN1CCCCC1)nn(c2ccc(Cl)cc2Cl)c3c4ccc(Cl)cc4

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005181 Edit

Molecule Structure InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(C(=O)NN1CCCCC1)nn(c2ccc(Cl)cc2Cl)c3c4ccc(Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005181
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8557    9.5992    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.6704    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6320    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8856    4.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4933    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    2.6856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 16  4  1  0  0  0  0
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 24  3  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005181-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    1.3032    1.4364   -2.6032 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7197   -2.6160    0.0261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8866    5.1137    0.3505 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -2.3226    0.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3765   -1.4137    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319   -3.2800    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0448   -1.5671   -1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.6302    1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7438    2.0361   -1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    1.9188    1.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892   -1.9391   -1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0614   -2.1566    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 30  2  0  0  0  0
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 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1636👍, 0💬