Molecule FYI-1001785

Home > Molecule

A

Molecule Summary:

ID: FYI-1001785
SMILES: CN4CCN(Cc3ccc(NC(=O)c2ccc(c1ccccc1)cc2)cc3)CC4

Received at FYIcenter.com on: 2022-12-07

Molecule ID: FYI-1001785 Edit

Molecule Structure SMILES String: CN4CCN(Cc3ccc(NC(=O)c2ccc(c1ccccc1)cc2)cc3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001785
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    8.3764    2.7153   -1.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6883    1.6529   -0.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0127    0.3290   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -0.7519   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8889   -0.5311   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2007   -1.5936    0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137   -1.4749    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.1415   -0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7499   -2.0353   -0.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -1.2578    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -1.1484   -0.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321    0.0007    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938    0.9728    0.5873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    0.0790    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1629    1.2700    0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5346    1.3419    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2664    0.2261   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7438    0.3049   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4085   -0.3151   -1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7837   -0.2384   -1.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5024    0.4520   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8481    1.0696    0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4738    0.9943    0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6093   -0.9636   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2373   -1.0361   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902   -0.5895    1.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525   -0.7043    1.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5645    0.7927    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2354    1.8736   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0669    2.6851   -2.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1188    3.6844   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4540    2.5647   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496    0.2621   -1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0929    0.1843   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -1.7332   -0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -0.7024    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423   -2.5660    0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4241   -1.4953    1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7093   -2.7456   -1.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810   -2.5559   -1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   -1.8996   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5965    2.1339    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0443    2.2623    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8484   -0.8541   -1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2997   -0.7179   -2.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5785    0.5095   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4143    1.6078    1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9640    1.4768    1.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770   -1.8269   -0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7288   -1.9572   -0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    0.0161    1.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4251   -0.1849    2.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842    0.9374    0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9275    0.8597    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    2.8549    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8521    1.8241   -1.3339 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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 24  2  0  0  0  0
 24 25  1  0  0  0  0
 14 25  2  0  0  0  0
 10 26  2  0  0  0  0
 26 27  1  0  0  0  0
  7 27  2  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
 11 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 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
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001785-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.8549    0.2348   -1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4016    0.3808   -1.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546   -0.8832   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926   -0.7310   -0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774    0.3117    0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704    0.0030    1.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7047   -1.2856    2.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9673   -2.4674    2.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5269   -3.6877    2.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8313   -3.7690    2.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4425   -5.0007    3.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8613   -6.2442    3.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368   -6.4709    2.6235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480   -7.4453    3.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0409   -7.5130    3.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6804   -8.7310    3.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9535   -9.9036    4.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6087  -11.2083    4.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8131  -11.5711    3.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3987  -12.8231    3.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7848  -13.7472    4.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5932  -13.4165    5.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0211  -12.1585    5.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5526   -9.8045    4.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121   -8.5972    3.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596   -2.5821    3.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066   -1.3500    2.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803    1.5726   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339    1.4652   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640   -0.5646   -1.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2475    0.0022   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    1.1540   -1.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1307   -1.2374    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150   -1.6543   -1.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -1.6994   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478   -0.4680   -1.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973    0.8178    2.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -0.0246    1.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9465   -2.4671    1.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -4.5561    2.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699   -4.9471    3.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6477   -6.6574    3.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7681   -8.7543    3.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3051  -10.8914    2.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3292  -13.0790    3.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2323  -14.7246    4.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1012  -14.1328    5.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0953  -11.9334    5.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284  -10.6756    4.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8231   -8.5714    3.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5706   -2.5916    3.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6012   -0.4429    2.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8402    2.3631    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    1.9119   -1.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3935    1.3262    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3475    2.4203   -0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  2  0  0  0  0
 11 12  1  0  0  0  0
 11 41  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 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 685👍, 0💬