Molecule FYI-1005711

A

Molecule Summary:

ID: FYI-1005711
Names:
InChIKey: OYTKTZRPBKLXLV-UHFFFAOYSA-N
SMILES: C=C(C)N2CC4CC1C(=CC(C(=O)N(CC)CC)CN1C)c3cccc2c34

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005711 Edit

Molecule Structure InChIKey: OYTKTZRPBKLXLV-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)N2CC4CC1C(=CC(C(=O)N(CC)CC)CN1C)c3cccc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005711
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
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    4.8393   10.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4197    8.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    8.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295    8.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    8.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0491    8.1231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0491    6.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2591    6.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7131    3.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1352    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3396    2.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8245    1.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2591    8.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098   10.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 13 12  2  0  0  0  0
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 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
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 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 26  3  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005711-3D
FYIcenter.com

 58 61  0  0  1  0  0  0  0  0999 V2000
    1.8984    1.6243   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.3890   -0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -0.5793   -1.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247   -0.0948    0.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8492    0.5629    1.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5995   -0.5386    2.2367 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4674   -0.2049    3.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    0.5898    2.9594 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5387   -0.2725    1.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8705   -0.1028    1.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5703    0.9352    2.7865 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8752    0.3509    3.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8512   -0.7160    3.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2161    2.2860    2.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4584    3.1304    2.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0473    1.9531   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 30  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

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2023-11-18, 1162👍, 0💬