Molecule Editor

Molecule ID: FYI-1016298 Edit

Molecule Structure InChIKey: QUKMLMFGAFCAQB-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C2CC=C(CN(C)C(C)c1ccccc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016298
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
   10.9981    4.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7761    5.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541    4.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    5.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1101    4.9387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1101    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    5.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    7.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6660    4.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    5.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    4.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6660    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7761    2.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9981    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2201    2.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2201    1.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4421    3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4091    4.9387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7036    6.1607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8880    8.4663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    7.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    7.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8880    2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0706    1.6001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4107    1.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9508    1.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2201    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6312    1.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4421    4.9387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6641    2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016298-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    5.0145   -1.5915    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671   -0.5499    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050    0.0129    1.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266    0.1530   -1.1796 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3288   -0.3957   -2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570   -1.6546   -2.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.0707   -2.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861   -3.4182   -2.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -3.3798   -3.6913 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454   -2.6036   -4.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -4.7344   -3.9678 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9140   -5.6390   -4.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736   -5.4672   -2.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -5.2942   -2.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068   -5.9675   -1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349   -6.8045   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0659   -6.9791   -0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896   -6.3221   -1.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -1.2475   -1.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957    0.1655   -1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2919   -2.0393    1.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4615   -2.0443   -0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968   -0.5047    2.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -0.0911    1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629    1.0722    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$