Molecule FYI-1005801

A

Molecule Summary:

ID: FYI-1005801
Names:
InChIKey: RJAOJIITBXDLEH-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc1ccc(Cl)cc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005801 Edit

Molecule Structure InChIKey: RJAOJIITBXDLEH-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc1ccc(Cl)cc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005801
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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
    3.6373    4.9000    0.0000 C   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
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   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  5  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 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  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
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005801-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   11.9254    2.0497    2.0882 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2477    1.6887    2.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8028    0.7926    3.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4407    0.4784    3.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5137    1.0510    2.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    0.7525    2.5371 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584    1.4642    2.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    0.7928    1.7977 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    1.5219    1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    2.8948    1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189    3.5124    1.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605    4.9209    1.5400 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609    5.8597    1.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872    6.9396    0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    8.0128    1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363    8.0281    2.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0291    9.3281    2.5855 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    6.9820    3.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9738    5.8734    3.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1301    4.8013    4.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3224    4.8692    5.4041 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044    6.0782    6.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    6.2035    6.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    5.0359    7.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903    3.8254    6.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6811    3.7225    6.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1757    2.7944    1.9322 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9874    1.9793    1.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3464    2.2915    1.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5018    0.3339    3.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1061   -0.2142    4.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9015   -0.1845    2.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.9637    1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0767    3.4454    0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5204    7.0150    4.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1970    4.7888    4.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7478    6.0315    7.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6693    6.4455    6.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2402    3.0008    7.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848    3.7395    6.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9585    3.7023    7.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5642    2.7675    5.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3091    2.4621    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    2.9869    0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 918👍, 0💬