Molecule FYI-1010718

A

Molecule Summary:

ID: FYI-1010718
Names:
InChIKey: MBNNJIINWKVWHB-UHFFFAOYSA-N
SMILES: O=C2NCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCNC(=O)c3ccc2cc3

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010718 Edit

Molecule Structure InChIKey: MBNNJIINWKVWHB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2NCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCNC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010718
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.2125    9.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    7.6996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127   13.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   14.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   13.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   14.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   13.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749   14.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4474   13.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6962   14.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8687   13.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1174   14.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2899   13.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937   15.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2137   12.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3862   11.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6349   12.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7112   13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5387   14.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8074   11.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0562   12.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 28 34  1  0  0  0  0
 28 30  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 26 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010718-3D
FYIcenter.com

 72 74  0  0  0  0  0  0  0  0999 V2000
    3.2890   -5.8301    6.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -6.1755    5.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -7.6033    5.6162 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3742   -8.7113    6.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744  -10.1455    7.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692  -11.7475    6.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602  -12.8199    6.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013  -14.4107    6.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514  -15.0417    5.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7091  -16.3808    4.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494  -16.8393    3.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328  -18.0094    3.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0555  -15.8962    2.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439  -16.2052    1.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299  -15.2861    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181  -14.0449    0.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662  -13.8025    2.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026  -14.7150    3.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929  -12.9920    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223  -13.2930   -0.8346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575  -11.6828    0.1432 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273  -11.2880    0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591   -9.8285    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4077   -9.6031    1.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -8.2236    1.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -8.1109    1.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0129   -6.8169    1.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359   -6.2965    2.3401 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4172   -4.9636    2.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6228   -4.7089    2.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629   -3.8484    2.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5551   -3.2943    3.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977   -4.0230    4.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1112   -5.1093    4.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519   -5.0073    3.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364   -4.2224    2.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6598   -7.6640    5.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904   -8.1727    7.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389   -8.9037    6.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450  -10.0237    8.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831  -10.0822    7.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606  -12.1085    7.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094  -11.8289    6.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1841  -12.4920    5.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536  -12.7631    6.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922  -14.8838    7.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488  -14.6120    5.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276  -14.3905    4.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614  -15.0129    5.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687  -17.1383    4.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627  -17.1619    0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392  -15.5338   -0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520  -12.8946    2.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466  -14.4450    4.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8433  -11.0760   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743  -11.9368    0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3351  -11.4595    1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530   -9.1651    0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3618   -9.6093   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1614  -10.3532    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -9.7467    2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171   -7.4765    1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0729   -8.0015    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -8.9559    1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2735   -8.1425    3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186   -6.1062    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4651   -6.9397    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8129   -6.9219    2.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2704   -2.4791    3.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2884   -3.7456    5.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195   -5.5129    3.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832   -4.0921    1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  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
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  1  0  0  0  0
 28 68  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  2  0  0  0  0
 32 33  2  0  0  0  0
 32 69  1  0  0  0  0
 33 34  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 1047👍, 0💬