Molecule Editor

Molecule ID: FYI-1016300 Edit

Molecule Structure InChIKey: RVNCOHMBBUBJKT-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016300
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
    9.7669    2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5461    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5461    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1043    4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2087    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7669    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2087    2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1364    2.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6912    6.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737    6.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    7.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516    6.4256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    6.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.7049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7669    6.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6926    5.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3267    4.2701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8663    3.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6504    3.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1344    1.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4295    0.0000    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
 18  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  3 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  4 25  1  0  0  0  0
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  8 27  1  0  0  0  0
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  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
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 12 32  1  0  0  0  0
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 16 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016300-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    1.1329    0.4152    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979   -0.0004    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.2705    1.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006   -0.1731   -1.2639 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5957   -1.6187   -1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -2.5455   -1.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852   -2.1270   -2.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376   -3.0643   -2.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390   -3.1586   -4.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070   -4.1212   -4.5943 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4632   -3.7431   -3.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593   -4.2589   -6.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051   -5.5085   -6.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935   -5.6493   -8.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -4.5437   -8.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766   -3.2938   -8.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865   -3.1510   -6.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796   -0.6702   -2.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.2713   -2.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092    0.5257    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    0.6668   -0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7072   -0.0883    2.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289    0.3829    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3716   -1.6183   -2.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252   -3.5957   -1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6326   -2.6736   -2.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515   -4.0594   -2.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -3.4763   -4.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191   -5.1011   -4.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7916   -2.7454   -4.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7875   -4.6559   -9.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0388   -2.4282   -8.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2460   -0.3247   -2.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9474    1.2951   -2.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0390    0.3118   -3.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
$$$$