Molecule FYI-1013964

A

Molecule Summary:

ID: FYI-1013964
Names:
InChIKey: RYZKOHJSLZHRNV-UHFFFAOYSA-N
SMILES: O=C1CCCN1C4CCN(C3C=C(NCC2C=CC=CC2)N=CN3)C4

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013964 Edit

Molecule Structure InChIKey: RYZKOHJSLZHRNV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCN1C4CCN(C3C=C(NCC2C=CC=CC2)N=CN3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013964
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   11.0204    8.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1975    9.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6301   10.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4975   11.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3649   10.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7975    9.5870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    7.2746    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
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    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013964-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.7393   -1.6250   -3.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -2.4760   -4.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0389   -2.2607   -5.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626   -3.4983   -6.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752   -4.5691   -5.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462   -3.8455   -3.8051 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986   -4.5226   -2.5939 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3200   -4.0603   -2.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5787   -3.5046   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053   -4.2812   -0.1740 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.3340   -5.5816    0.3882 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.6443   -6.6597    2.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741   -7.3151    2.6648 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1437   -6.9509    2.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1233   -7.4150    3.4280 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1897   -8.9295    3.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956   -9.6287    3.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5161   -8.9768    2.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6332   -7.6428    2.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5068   -6.7330    3.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958   -6.3504    3.1623 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -5.7012    2.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6030   -4.3598   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 29  1  0  0  0  0
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  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 32  1  0  0  0  0
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  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
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 14 39  1  0  0  0  0
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 16 17  1  0  0  0  0
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 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
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 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
$$$$

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2025-03-12, 770👍, 0💬