Molecule FYI-1000341

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Molecule Summary:

ID: FYI-1000341
SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000341 Edit

Molecule Structure SMILES String: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

Download SDF Download SVG Structure in 2D SDF:

FYI-1000341
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  1  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000341-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
   -3.3160    3.9388   -4.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0787    5.4190   -4.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    6.1886   -3.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210    7.5767   -3.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890    8.2038   -5.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6152    7.4457   -6.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8715    6.0747   -6.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3644    9.5994   -5.0748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1189    5.8275   -2.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498    6.6560   -1.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6784    4.6500   -1.7836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    4.4709   -0.3410 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5184    4.0164    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    3.6403   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241    2.5446    0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1446    1.7968    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3778    2.0864    0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5267    3.1611   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7924    3.4045   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0139    4.5053   -1.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9795    5.3955   -1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7065    5.1469   -1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4192    3.9985   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8962    3.5081   -4.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3641    3.4102   -5.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057    3.7202   -5.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867    8.2078   -2.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4971    7.9065   -7.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9283    5.5127   -7.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0005    9.9964   -4.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    9.9439   -5.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    3.8716   -2.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737    5.4499    0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1196    3.1424   -0.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5715    3.7909    1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696    4.8119    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802    2.2620    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0559    0.9834    1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2361    1.4793    0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6221    2.7311   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9990    4.6699   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1584    6.2843   -2.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9400    5.8939   -1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 33  1  1  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1740👍, 0💬