Molecule FYI-1013266

A

Molecule Summary:

ID: FYI-1013266
Names:
InChIKey: LHBDUWAWMJPGHJ-UHFFFAOYSA-N
SMILES: CCC4(CC)N=C(c3ccc(C1CC1)c(Cc2ccc(F)cc2)n3)OC4=O

Received at FYIcenter.com on: 2024-12-01

Molecule ID: FYI-1013266 Edit

Molecule Structure InChIKey: LHBDUWAWMJPGHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC4(CC)N=C(c3ccc(C1CC1)c(Cc2ccc(F)cc2)n3)OC4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013266
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
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    6.1384    8.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9260    8.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6471    8.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3559   10.1304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103    7.7206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103    6.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8409    5.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3095    1.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 23  1  0  0  0  0
 26  3  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013266-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.9527    0.0798    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339   -0.0387   -0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    1.2056   -1.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037    0.9510   -2.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903    2.1095   -3.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900    2.3520   -0.8545 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990    3.2105   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057    4.5407    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4216    4.9670    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241    6.1901    0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7293    6.9840    1.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338    8.2590    1.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    9.6154    1.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162    9.2161    1.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154    6.4640    1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    7.2071    1.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5910    8.2725    0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850    8.1395   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5438   10.3109   -0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401   11.3079   -1.2977 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150   10.4370    0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    9.4155    1.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    5.2627    0.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8841    0.2071    1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8433    7.2420   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0565    9.5248    2.6849 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 30  1  0  0  0  0
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  2 31  1  0  0  0  0
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  3  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  2  0  0  0  0
  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
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 23 50  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$

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2024-12-18, 942👍, 0💬