Molecule FYI-1015721

A

Molecule Summary:

ID: FYI-1015721
Names:
InChIKey: MZBXMYCYJNPYBX-UHFFFAOYSA-N
SMILES: O=C(NC23CC1CC(CC(C1)C2)C3)c4ccccc4O

Received at FYIcenter.com on: 2025-10-01

Molecule ID: FYI-1015721 Edit

Molecule Structure InChIKey: MZBXMYCYJNPYBX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC23CC1CC(CC(C1)C2)C3)c4ccccc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015721
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142    3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0887    3.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    2.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037    0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2332    1.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6092    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5051    3.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 15 19  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015721-3D
FYIcenter.com

 41 44  0     0  0  0  0  0  0999 V2000
    0.7500   -1.4528   -0.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -2.2204    0.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1454    0.5816    0.2053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    0.3358    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5683    1.2998    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971   -0.1791   -1.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1555   -1.1697    0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535    1.5579    0.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6839    0.0853   -1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6423   -0.9017    0.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576    1.0431   -0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161    0.0586    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5470   -1.4121   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816   -0.3593   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885    0.0497   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789   -0.8961    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8017    1.3969   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082   -0.4872    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310    1.8057   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.8638    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138    2.1702    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4803   -0.3566   -2.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -2.0493    1.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7961    2.4558    0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7290    1.9269   -1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6576    0.2342    2.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9968   -0.1265    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6211   -1.6230   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0228   -2.2949   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464    1.4430    0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    2.1580   -0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6003   -1.2099    0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3865    2.8565   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695    1.1821    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0022   -2.7182    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 16  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 36  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  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 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
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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2025-10-14, 583👍, 0💬