Molecule Editor

Molecule ID: FYI-1016309 Edit

Molecule Structure InChIKey: FFDJWSWDTSKHNW-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016309
FYIcenter.com

 48 49  0  0  0  0  0  0  0  0999 V2000
    3.6627    3.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836    1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836    4.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    6.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    7.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836    8.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    7.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    9.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    8.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2209   10.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209   11.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418   12.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   11.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4418    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    4.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5210    9.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836   11.2782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2934    9.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418   14.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836   12.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8443   10.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    6.9225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    5.6391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    4.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    3.0084    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
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
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  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
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 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016309-3D
FYIcenter.com

 50 51  0  0  1  0  0  0  0  0999 V2000
    4.8587    1.8090    3.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    1.4220    2.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0907    2.4813    1.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6215   -0.0491    1.9064 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1828   -0.3120    0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.3090   -0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6124   -0.5012   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6889   -0.2985   -1.0671 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2645   -1.3855   -1.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7752   -2.5640   -1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788   -1.8896   -2.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    1.0773   -1.3718 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2076    2.1983   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5779    1.3859   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1807    0.5628    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4571    0.8380    0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    1.9653    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2924    2.5339   -1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9622   -0.8446    1.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7605   -1.0461    2.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0323    2.8584    3.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4760    1.1085    3.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971    3.4837    1.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    2.2801    1.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    2.5123    0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6925   -1.2926    0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4755   -2.2448   -0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3739   -2.0658    2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
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M  END
$$$$