Molecule FYI-1005715

A

Molecule Summary:

ID: FYI-1005715
Names:
InChIKey: WDFSUVBQFGECCQ-JNKIDDAASA-N
SMILES: CCN(CC)C(=O)[C@@H]3C=C2c1cccc4c1C(C[C@H]2N(C)C3)CN4C(C)O

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

Molecule ID: FYI-1005715 Edit

Molecule Structure InChIKey: WDFSUVBQFGECCQ-JNKIDDAASA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]3C=C2c1cccc4c1C(C[C@H]2N(C)C3)CN4C(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005715
FYIcenter.com

 27 30  0  0  1  0  0  0  0  0999 V2000
    3.6293   10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390   10.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4196    8.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    8.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    8.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    8.1604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    6.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2586    6.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3391    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2586    8.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097   10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    1.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8714    1.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
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  9  8  1  6  0  0  0
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 24 23  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005715-3D
FYIcenter.com

 58 61  0  0  1  0  0  0  0  0999 V2000
    6.2907   -1.3399   -5.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0901   -1.0078   -4.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.4252   -3.2735 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.2010   -2.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0036   -2.7066   -2.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0041    0.9396   -3.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3608    1.6121   -4.3447 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384    1.5995   -2.2025 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8960    2.0019   -2.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006    3.2945   -2.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361    3.7283   -3.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936    3.0062   -4.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4861    5.0605   -5.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0414    5.0737   -3.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7378    6.0771   -2.5699 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.6171    4.4105   -2.6365 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8431    4.1020   -1.8853 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0040    4.7903   -2.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1321    2.6982   -1.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    7.0641   -3.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915    7.0935   -4.5346 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9413   -1.7908   -6.3376 H   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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 27 58  1  0  0  0  0
M  END
$$$$

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2023-11-18, 2119👍, 0💬