Molecule FYI-1014463

A

Molecule Summary:

ID: FYI-1014463
Names:
InChIKey: ZNCZIRYSQKGDFY-UHFFFAOYSA-N
SMILES: CCC(C)N3CCC(OC(=O)c2ccc1ncccc1c2)CC3

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014463 Edit

Molecule Structure InChIKey: ZNCZIRYSQKGDFY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)N3CCC(OC(=O)c2ccc1ncccc1c2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014463
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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 O   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
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    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014463-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    0.9222    1.1304   -0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    1.0937   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9288   -0.2112   -1.5407 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2441   -0.4442   -2.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4177   -0.2517   -1.5828 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228   -1.5109   -2.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450   -1.6103   -2.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1039   -0.4260   -2.7803 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7988   -0.4232   -4.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5234   -1.2652   -4.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4007   -2.0188   -4.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1205   -1.1579   -6.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1116   -0.2968   -6.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037   -0.2172   -8.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739   -0.9784   -9.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1505   -0.8493  -10.4436 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8263   -1.5978  -11.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8220   -2.4951  -11.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1512   -2.6297   -9.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4813   -1.8608   -8.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959   -1.9474   -7.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5679    0.8683   -2.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0385    0.9214   -2.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1594   -0.5302   -2.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564   -1.3835   -3.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9136    0.9604   -1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939    1.0398   -3.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    1.8322   -1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1406👍, 0💬