Molecule FYI-1013795

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A

Molecule Summary:

ID: FYI-1013795
Names:
InChIKey: VMCHTHYDYKAPMS-UHFFFAOYSA-N
SMILES: CCN2CCC(OC(=O)c1ccc(N)cc1)CC2

Received at FYIcenter.com on: 2025-01-26

Molecule ID: FYI-1013795 Edit

Molecule Structure InChIKey: VMCHTHYDYKAPMS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN2CCC(OC(=O)c1ccc(N)cc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013795
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013795-3D
FYIcenter.com

 38 39  0     0  0  0  0  0  0999 V2000
   -0.0198    0.1638   -0.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487   -2.0349   -0.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.1514    0.3858 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370    1.0757    0.3010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -0.1978   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    1.0546   -0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8885   -0.8569    0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7024    0.7545   -0.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3965   -1.0987    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5668   -0.0861    0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3373    1.2146    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8447   -0.8559   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -0.3485   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2806   -1.1743   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362    0.9329    0.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862   -0.6978   -0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418    1.4095    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169    0.5940    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -0.8935   -1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    1.8341   -0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992    1.4687   -1.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209   -1.8218    0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6416   -0.2210    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2005    1.7136   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    0.0980   -1.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6232   -1.8524   -0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7094   -1.5117    1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8655   -0.7883   -0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8564   -0.5339    1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675    1.9868    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3102    1.6022   -0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3925    1.0438    0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135   -2.1805   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    1.5823    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155   -1.3425   -0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9089    2.4169    0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3048    2.0120    0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    0.4848    0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1118👍, 0💬