Molecule Editor

Molecule ID: FYI-1002306 Edit

Molecule Structure InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CC/C=C/2c1ccccc1CCc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002306
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.5830    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7299    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002306-3D
FYIcenter.com

 44 46  0     0  0  0  0  0  0999 V2000
    2.9255   -2.2076   -0.6183 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781    0.8302   -1.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777    1.0834   -1.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2112   -0.2046    0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3555   -0.1607   -0.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.8189   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.6335    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    1.1871    0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175   -1.1310    0.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469   -0.8064    1.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6907   -0.5987   -0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    3.1390   -0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2287   -1.5144    1.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849    1.8854    1.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670   -1.9499    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775   -1.4823    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7758   -3.3271   -1.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5060   -0.2228   -1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$