Molecule FYI-1007751

A

Molecule Summary:

ID: FYI-1007751
Names:
InChIKey: UBQNVKYUEUICQM-UHFFFAOYSA-N
SMILES: CCn1nccc1CN(C)C(=O)CCNC(=O)c2cc(C#N)ccc2OC

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007751 Edit

Molecule Structure InChIKey: UBQNVKYUEUICQM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn1nccc1CN(C)C(=O)CCNC(=O)c2cc(C#N)ccc2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007751
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.4905    2.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    1.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1277    1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2779    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    2.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.3063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007751-3D
FYIcenter.com

 50 51  0  0  0  0  0  0  0  0999 V2000
    0.1262   -6.2032    1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1951   -5.2989    2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881   -4.6617    2.4640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -5.3306    3.1886 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   -4.4706    3.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762   -3.2705    2.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266   -3.4230    2.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1743   -2.5237    1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769   -1.2493    1.7763 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041   -0.1443    1.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159   -1.1229    2.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9419    0.2508    3.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0969    2.3721    3.2902 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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  6  7  2  0  0  0  0
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  7  8  1  0  0  0  0
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  8 35  1  0  0  0  0
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  9 11  1  0  0  0  0
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 26 27  1  0  0  0  0
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 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 145👍, 0💬