Molecule FYI-1005754

A

Molecule Summary:

ID: FYI-1005754
Names:
InChIKey: QWSQPZPSEYSVFP-ALRZPZFWSA-N
SMILES: CCN(CC)C(=O)[C@@H]3C=C1c5cccc4NCC(C[C@H]1N(Cc2ccccc2)C3)c45

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

Molecule ID: FYI-1005754 Edit

Molecule Structure InChIKey: QWSQPZPSEYSVFP-ALRZPZFWSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]3C=C1c5cccc4NCC(C[C@H]1N(Cc2ccccc2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005754
FYIcenter.com

 30 34  0  0  1  0  0  0  0  0999 V2000
    6.0507    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    2.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    2.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0507    4.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0507    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2610    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4711    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0102    6.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4204    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2881    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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 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005754-3D
FYIcenter.com

 61 65  0  0  1  0  0  0  0  0999 V2000
    2.6157    1.3897    6.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878    0.1852    5.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    0.1330    4.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782    1.0647    3.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    2.2283    3.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -0.8293    4.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.5477    5.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475   -1.0157    3.0373 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8081   -2.4701    2.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8619   -3.2770    2.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2180👍, 0💬