Molecule FYI-1009317

A

Molecule Summary:

ID: FYI-1009317
Names:
InChIKey: JCDXVCYEIUGZQS-UHFFFAOYSA-N
SMILES: CN(C)Cc2[nH]c1ccccc1c2C4NC(=O)C3C=CC(O)=CC34

Received at FYIcenter.com on: 2024-05-08

Molecule ID: FYI-1009317 Edit

Molecule Structure InChIKey: JCDXVCYEIUGZQS-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)Cc2[nH]c1ccccc1c2C4NC(=O)C3C=CC(O)=CC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009317
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.8531    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    7.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    7.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    6.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 23  8  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009317-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    2.9330   -1.8615    1.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -2.0610    0.5768 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175   -2.1436    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296   -0.9615   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263   -0.9321   -0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0804   -2.0537   -0.8096 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4241   -1.9593   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4402   -2.8922   -0.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7299   -2.5702   -0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9813   -1.3691    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9524   -0.4408    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434   -0.7157    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2184    1.5021    0.2929 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8590    1.9325   -0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582    2.4363   -1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7701    2.9403   -1.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1255    2.2092   -1.9659 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6538    2.9737   -3.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9772    3.2195   -3.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8772    2.8564   -2.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2260    2.9948   -2.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3 28  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
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  7 12  2  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-05-15, 178👍, 0💬