Molecule FYI-1001108

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A

Molecule Summary:

ID: FYI-1001108
SMILES: CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C

Received at FYIcenter.com on: 2022-01-06

Molecule ID: FYI-1001108 Edit

Molecule Structure SMILES String: CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001108
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 20  1  0  0  0  0
 26  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001108-3D
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.7493    0.5546    2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    0.6095    2.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    0.5020    1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4168    0.4793    1.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    1.6213    1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6478    1.5386    1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3567    2.5394    1.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1757    0.2836    1.3004 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416   -0.8729    1.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036   -0.8304    1.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857   -2.1179    1.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890   -2.1198    2.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614   -3.4134    1.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3994   -3.4045    1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1947   -2.1505    1.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4227   -2.1708    1.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1054   -4.5767    1.2516 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   -5.8204    1.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2340   -6.8316    1.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407   -5.8622    1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -4.7013    1.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -4.7040    1.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -3.9584    0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -4.5563   -1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338   -7.2370    1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    3.0282    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216    0.5752    3.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4106   -0.3624    2.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568    1.4117    2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6127   -0.1924    3.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    1.5459    3.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    1.3414    0.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191   -0.3708    0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1926    0.2140    1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -4.5370    1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617   -4.3092    2.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   -5.7293    1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623   -2.9023    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -3.9781    0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709   -4.5227   -1.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7510   -3.9886   -1.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729   -5.5951   -1.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1807   -8.0362    1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104   -7.3923    0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8221   -7.3741    2.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308    3.0898    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    3.5571    0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551    3.5715    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 2679👍, 0💬