Molecule FYI-1005708

A

Molecule Summary:

ID: FYI-1005708
Names:
InChIKey: LXADBSGQRFLPFD-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)C3C=C2c1cccc4c1C(CC2N(C)C3)CN4CC(C)C

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

Molecule ID: FYI-1005708 Edit

Molecule Structure InChIKey: LXADBSGQRFLPFD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)C3C=C2c1cccc4c1C(CC2N(C)C3)CN4CC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005708
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6298   12.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397   11.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4199   10.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    9.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8397   10.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    7.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    5.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3400    3.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2596   10.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099   12.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4293    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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  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 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26  8  1  0  0  0  0
 27  3  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005708-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    2.9498    0.0766   -1.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372   -0.0638   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595   -1.2871    0.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1934   -2.4784    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652   -2.5082   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -1.2055    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0371   -0.1835    0.6162 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8098   -4.2227    2.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2751   -5.6805    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -3.4156    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8 22  1  0  0  0  0
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 28 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 907👍, 0💬