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
    4.8499    0.7000    0.0000 O   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
    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1474    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5397    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557    9.5992    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9322    6.7487    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    1.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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  9  7  1  0  0  0  0
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 15 14  1  0  0  0  0
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 16  4  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
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 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 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
   -4.8122   -0.2373    0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424   -0.0520    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    0.2627    0.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    0.3821    0.1035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5863    0.6648    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8825    0.1321   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9389    0.1050    1.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6202   -1.1665    0.0618 C   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
    1.3360    1.4124    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    2.5344    3.1833   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975    3.0659    1.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614   -2.1566    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    3.6981    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7837    3.4557    2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
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 25 29  2  0  0  0  0
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 27 30  2  0  0  0  0
 27 50  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 586👍, 0💬