Molecule FYI-1009756

A

Molecule Summary:

ID: FYI-1009756
Names:
InChIKey: HIPRXNRNLRNIHC-UHFFFAOYSA-N
SMILES: CC(=O)NCCc2c[nH]c3=CCC(C1CCCCC1)C=c23

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009756 Edit

Molecule Structure InChIKey: HIPRXNRNLRNIHC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc2c[nH]c3=CCC(C1CCCCC1)C=c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009756
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.7676    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2002    6.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634    7.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8941    7.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    6.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3982    5.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0106    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 11 10  2  0  0  0  0
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 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009756-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    0.8532   -0.0068    2.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475   -0.1238    2.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9090   -1.0066    1.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0135    0.8408    3.1049 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4591    0.8661    3.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0668    1.7111    2.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5566    1.7008    2.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3755    0.7321    2.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984    1.0718    2.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8242    2.3001    1.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8930    3.0344    1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7427    4.3957    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2950    4.8246    0.4712 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1477    4.9888   -1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    3.6818   -1.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    3.8626   -3.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2994    4.9958   -3.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360    6.3041   -3.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982    6.1662   -1.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1867    3.9215    0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4567    2.7539    1.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.8031    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    0.9593    2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -0.1082    3.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4475    3.3065   -1.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3437    4.7405   -3.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6547    7.1005   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0493    6.0505   -1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1616    4.2361    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
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 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
M  END
$$$$

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2024-05-22, 1855👍, 0💬