Molecule FYI-1001146

Home > Molecule

A

Molecule Summary:

ID: FYI-1001146
SMILES: C1=CC=CC2=C1C(=O)N(C(=N2)C3=CC=CC=C3)N([H])C(C[N](CC)(CC)CC)=O

Received at FYIcenter.com on: 2022-02-03

Molecule ID: FYI-1001146 Edit

Molecule Structure SMILES String: C1=CC=CC2=C1C(=O)N(C(=N2)C3=CC=CC=C3)N([H])C(C[N](CC)(CC)CC)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001146
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   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
    2.4249    4.2000    0.0000 N   0  3  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
    1.2124    2.1000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  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
 17 12  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  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 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001146-3D
FYIcenter.com

 55 57  0  0  0  0  0  0  0  0999 V2000
    1.1585    1.7259   -0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    2.7194   -1.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    2.5936   -3.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    1.4551   -3.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    0.4540   -2.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.6026   -1.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   -0.3974   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1720   -0.4407    0.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3927   -1.2598   -0.9933 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3883   -1.4613   -2.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.6577   -3.1835 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1352   -2.6094   -3.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508   -3.9586   -2.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6068   -5.0043   -3.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4142   -4.7218   -4.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431   -3.4082   -4.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8938   -2.3741   -4.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763   -1.7597   -0.1468 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5193   -2.7684   -0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -0.8426    0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4398   -1.3963    1.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293   -0.7325    2.9710 N   0  0  0  0  0  4  0  0  0  0  0  0
    7.0346    0.7868    2.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    1.5235    3.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4093   -1.0520    3.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4295   -0.9851    5.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9132   -1.4364    3.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2597   -1.3049    2.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9930    0.3684    0.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9901    1.8454    0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2033    3.6060   -1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185    3.3729   -3.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808    1.3644   -4.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -4.2361   -1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4543   -6.0419   -3.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019   -5.5312   -4.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203   -3.1871   -5.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9660   -1.3528   -4.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3498   -1.2051    0.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264   -2.4696    1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111    1.2990    2.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7400    0.8555    1.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    1.7719    4.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0905    2.4698    3.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4950    0.9986    4.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765   -2.0980    3.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6216   -0.4163    3.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2686   -1.5112    5.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5295   -1.4946    5.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3951    0.0403    5.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6438   -2.4922    3.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0010   -1.0051    4.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3101   -1.9248    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0448   -1.6552    3.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5219   -0.2772    2.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  2  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  2  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 168👍, 0💬