Molecule FYI-1012985

A

Molecule Summary:

ID: FYI-1012985
Names:
InChIKey: WULUGQONDYDNKY-UHFFFAOYSA-N
SMILES: CN(C)C(=O)Cn4cc(c3ccc(c1cncc2ccccc12)cc3)cn4

Received at FYIcenter.com on: 2024-11-04

Molecule ID: FYI-1012985 Edit

Molecule Structure InChIKey: WULUGQONDYDNKY-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)Cn4cc(c3ccc(c1cncc2ccccc12)cc3)cn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012985
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.1802    8.9435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1802   10.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926   11.0435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6050   10.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926   12.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676   11.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552   10.3435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4764   10.9128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5395    9.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6089    8.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 18 17  2  0  0  0  0
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 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
 26 11  1  0  0  0  0
 27 10  2  0  0  0  0
 27  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012985-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
    5.5854    1.6658    0.1182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1263   -0.5537   -0.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9927   -0.1744   -1.8219 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    0.4852    0.9325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4389   -2.1627    0.9353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829   -0.6676   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5534   -0.5296   -0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6052   -0.7406    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   -0.4591   -0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9396   -0.7375    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2916   -0.3460    1.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7059   -0.9200   -1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766   -0.2771    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378   -0.8511   -1.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4440   -0.7270    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8366    0.1813    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6683   -0.1183   -1.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1351   -1.9585    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0087    1.6220   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1359    0.5869    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7182    1.2691    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2555   -1.0917    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3331    1.6935    2.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5748    2.6008    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0847    1.7074    0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 18  2  0  0  0  0
  4 21  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  2  0  0  0  0
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 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
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 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 24  1  0  0  0  0
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 22 25  1  0  0  0  0
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 24 40  1  0  0  0  0
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 26 44  1  0  0  0  0
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 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

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2024-11-23, 838👍, 0💬