Molecule FYI-1014462

A

Molecule Summary:

ID: FYI-1014462
Names:
InChIKey: IYXUXERIDGPPQT-UHFFFAOYSA-N
SMILES: CC(C)N3CCC(OC(=O)c2ccc1ncccc1c2)CC3

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

Molecule ID: FYI-1014462 Edit

Molecule Structure InChIKey: IYXUXERIDGPPQT-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014462
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
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    7.2747    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
    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
    1.2124    0.0000    0.0000 N   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 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  2  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
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014462-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.9626   -0.1771    0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -0.1123    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786   -0.5572    1.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8681   -0.8372   -1.1721 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864   -2.2804   -1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0540   -2.9971   -2.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -2.3848   -3.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733   -2.5258   -3.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -3.7403   -3.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235   -4.7173   -4.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157   -3.7370   -3.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466   -2.6185   -3.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1468   -2.6640   -3.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8494   -3.7985   -3.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1929   -3.7802   -3.8042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8490   -4.8982   -4.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2198   -6.0626   -4.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8288   -6.0811   -4.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -4.9363   -4.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055   -4.8992   -4.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -0.8941   -3.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169   -0.1978   -2.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541    0.3746    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6165   -1.2036    0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3533   -0.4837    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -2.4743   -0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162   -2.7435   -0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7970   -4.0586   -2.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1466   -2.9348   -2.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -2.8554   -4.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2494   -1.6998   -3.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071   -1.7852   -3.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9327   -4.8269   -4.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3108   -6.9838   -4.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1443   -5.7798   -4.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -0.4164   -4.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2223   -0.1668   -2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    0.8408   -2.4296 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
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  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, 757👍, 0💬