Molecule FYI-1014467

A

Molecule Summary:

ID: FYI-1014467
Names:
InChIKey: BEEPZFNXEQDPOD-UHFFFAOYSA-N
SMILES: CC(C)N3CCC(OC(=O)c2ccc1cccnc1c2)CC3

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

Molecule ID: FYI-1014467 Edit

Molecule Structure InChIKey: BEEPZFNXEQDPOD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)N3CCC(OC(=O)c2ccc1cccnc1c2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014467
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   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
   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  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
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014467-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.8863   -0.1087    0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    0.0210    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1150   -1.1564    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    0.1864   -1.3462 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4702   -0.9302   -2.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316   -0.7492   -3.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601    0.5656   -4.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239    0.5667   -4.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166   -0.0950   -5.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604   -0.6484   -6.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715   -0.0964   -5.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5769   -0.7628   -6.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9704   -0.8176   -6.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6672   -0.2062   -5.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0642   -0.2575   -5.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7077    0.3595   -4.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9299    1.0134   -3.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5819    1.0823   -3.2855 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614    0.4797   -4.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775    0.5237   -4.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9327    1.7155   -3.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    1.4799   -1.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -0.2062    1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758   -0.9901   -0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508    0.7741   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286    0.9148    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7992   -2.1237    0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901   -1.1668    1.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020   -1.0742    0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -1.0437   -2.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8752   -1.8717   -1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134   -1.5990   -4.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285   -0.7666   -3.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    0.7306   -5.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2483   -7.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5076   -1.3445   -7.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6548   -0.7798   -5.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7870    0.3303   -4.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3807    1.5143   -2.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    1.0493   -3.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080    2.6537   -3.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232    1.8329   -3.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    1.5612   -1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887    2.2931   -1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

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2025-04-26, 621👍, 0💬