Molecule FYI-1006035

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A

Molecule Summary:

ID: FYI-1006035
Names:
InChIKey: DXCRDLUQTDLMKZ-UHFFFAOYSA-N
SMILES: OCc2cn(Cc1ccccc1)c3ccccc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006035 Edit

Molecule Structure InChIKey: DXCRDLUQTDLMKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: OCc2cn(Cc1ccccc1)c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006035
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    9.0711    4.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0040    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4366    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  3  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006035-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
    2.4973   -2.9425    1.3838 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921   -0.2284   -1.0282 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401    0.7079   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.0186    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -1.3623   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    0.0548   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7260   -1.4823   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2048    0.0189   -0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110    2.0982   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828    0.7505    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487   -2.4741    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480    2.8030    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    2.1416    0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    1.1808    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8703   -1.1756   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5991    1.1475    0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103   -1.2090    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2746   -0.0474    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443   -0.6872   -2.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259    1.0258   -2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040   -2.3545   -1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0585    2.6311   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    0.2507    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407   -3.3073   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8997   -2.1695    0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8814    3.8846    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8612    2.7114    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597    2.1239   -0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5954   -2.0864   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8857    2.0527    1.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4364   -2.1392    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850   -0.0732    1.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121   -2.2375    2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2023-12-01, 886👍, 0💬