Molecule Editor

Molecule ID: FYI-1015877 Edit

Molecule Structure InChIKey: ZHVBPASKHIBKDD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC/N=C(O)\c1ccc(cc1)C(=O)NCCCCCCN2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015877
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
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    0.0874    2.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    4.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1535    6.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643    7.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1877    8.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4672    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8392    9.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2344    9.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5830    8.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8176    8.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8758    7.3585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7048    6.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8507    7.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4362    4.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7419    3.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4475    2.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8475    2.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5418    3.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8362    4.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5531    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8588    0.1386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9531    1.3608    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015877-3D
FYIcenter.com

 55 56  0  0  0  0  0  0  0  0999 V2000
    1.1508    3.4949   -4.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    3.6310   -4.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660    4.7965   -4.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297    5.0616   -6.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3817    5.3638   -7.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4907    5.2388   -8.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    5.0995   -8.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4079    4.7406  -10.3273 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6297    4.3344  -10.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9975    3.9811  -11.7212 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7786    4.1252   -9.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7887    3.1837   -9.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7191    2.8083   -8.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6337    3.3538   -7.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7568    4.4109   -7.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8552    4.7978   -8.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4430    2.7891   -6.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6476    2.6601   -6.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917    2.3721   -5.2387 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3629    2.1796   -5.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7822    1.6264   -3.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2678    1.7342   -4.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2603    1.4671   -2.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    1.7628   -3.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108    2.3848   -2.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027    2.7591   -3.4344 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    4.6601   -4.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    5.6806   -4.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682    5.9257   -6.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    4.2111   -6.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090    4.6779   -6.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6998    6.3770   -6.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0896    6.1390   -9.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    4.3817   -9.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3559    4.3206   -8.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4244    6.0761   -8.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2199    4.0998  -12.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8459    2.7011  -10.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4747    2.0569   -9.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262    4.9174   -6.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989    5.6210   -8.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0922    0.6006   -3.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0019    1.0876   -4.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.7672   -4.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4574    2.1078   -2.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3141    0.4235   -2.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4998    0.8321   -3.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076    2.4510   -4.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718    3.2469   -2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778    1.6221   -1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    2.1423   -3.2740 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 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 26  1  0  0  0  0
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 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
$$$$