Molecule FYI-1000308

Home > Molecule

A

Molecule Summary:

ID: FYI-1000308
SMILES: CN(C)c1ccc(cc1)/C=C(/C(=O)N/N=C/c2cc(ccc2OC)Br)\\NC(=O)c3ccccc3

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000308 Edit

Molecule Structure SMILES String: CN(C)c1ccc(cc1)/C=C(/C(=O)N/N=C/c2cc(ccc2OC)Br)NC(=O)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000308
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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  2  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 26 11  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000308-3D
FYIcenter.com

 59 61  0  0  0  0  0  0  0  0999 V2000
    1.9566    1.2276    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283    0.1263   -0.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.3914   -1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193   -0.7548    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718   -0.6685    2.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883   -1.5512    2.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9028   -2.5382    2.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615   -2.6528    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368   -1.7714    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400   -3.4006    3.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722   -4.5949    3.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2073   -5.3530    4.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447   -6.2165    5.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5623   -5.0348    4.8959 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164   -5.6724    5.8488 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5727   -5.3484    5.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4180   -6.0096    6.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823   -7.3357    7.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8613   -8.0590    8.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9696   -7.4738    8.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3013   -6.1529    8.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5284   -5.4039    7.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0180   -4.1454    7.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0699   -3.0858    7.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4265   -9.8591    8.5895 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0894   -5.0975    3.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7864   -5.8835    2.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   -6.0624    1.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -6.5424    2.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176   -6.7806    1.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5534   -7.3759    1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995   -7.7487    2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -7.5277    3.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739   -6.9340    3.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901    1.8311   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    1.9076    1.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545    0.8635    1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5824    0.3053   -1.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351   -1.3404   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094   -0.5316   -2.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636    0.0865    2.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   -1.4454    4.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5751   -3.4221    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3533   -1.8871   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6868   -2.9395    3.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0078   -4.3866    4.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0394   -4.5876    5.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2244   -7.8096    6.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5833   -8.0338    9.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1694   -5.7004    8.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5173   -2.2036    7.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1335   -3.3067    7.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8852   -2.8319    6.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6649   -5.4251    4.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193   -6.4960    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0837   -7.5532    0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810   -8.2182    2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079   -7.8340    4.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270   -6.8148    4.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  2  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  2  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1288👍, 0💬