Molecule FYI-1012970

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A

Molecule Summary:

ID: FYI-1012970
Names:
InChIKey: RIKMWASRKUQRSU-UHFFFAOYSA-N
SMILES: O=C(OC1CCNCC1)c3cccc(CN2CCNCC2)c3

Received at FYIcenter.com on: 2024-11-01

Molecule ID: FYI-1012970 Edit

Molecule Structure InChIKey: RIKMWASRKUQRSU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OC1CCNCC1)c3cccc(CN2CCNCC2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012970
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
    9.6995    2.1000    0.0000 O   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
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   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 N   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   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
    2.4248    0.7000    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  7  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012970-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.1979   -2.0476    0.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7802   -0.9430   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8021   -0.2525    0.4322 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -0.7299    1.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636   -1.8821    1.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9146   -1.4610    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6129   -0.2566    0.9847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920    0.8516    1.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5778    0.4574    2.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244   -0.0858   -1.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499    1.2154   -1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    2.0365   -2.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487    1.5851   -3.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    0.3022   -2.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3618   -0.1120   -3.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    0.0254   -2.9042 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618   -0.8122   -1.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2408   -0.2077   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5600    1.2023   -0.1400 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4559    2.0267   -1.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0629    1.3933   -2.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3989   -0.5533   -2.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085   -1.0135    2.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -2.2043    2.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524   -2.7451    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6419   -2.2793    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1345   -0.4693    1.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2584    1.6932    1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685    1.2095    0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    0.2025    3.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858    1.3182    2.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0336    1.6188   -0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0723    3.0475   -2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321    2.2627   -3.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    0.4552   -4.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588   -1.1522   -3.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380   -0.9931   -1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3277   -1.8055   -1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6545   -0.7964    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620   -0.3335   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5168    1.2621    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9686    2.9768   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4115    2.2932   -1.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1532    1.3559   -2.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160    2.0487   -3.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748   -1.5635   -1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1436👍, 0💬