Molecule Editor

Molecule ID: FYI-1004211 Edit

Molecule Structure InChIKey: KXUUSWWZIUKVHH-RMKNXTFCSA-N

Molecule Structure SMILES String: CN(C)CCCNC(=O)/C=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004211
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   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
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004211-3D
FYIcenter.com

 27 26  0     0  0  0  0  0  0999 V2000
   -2.0773   -1.7054    0.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4267    1.6353    0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0211    0.6147   -0.2042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -0.3697   -0.6702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441    0.5509    0.4250 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795   -1.1015    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.2850    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -1.2706   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214   -0.3494   -0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441    1.9725   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6923   -0.6817   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754    0.4198   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337   -1.8927    0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045   -1.2696    1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    0.3198    1.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    1.0293    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3055   -1.1022   -1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3046   -2.2984   -0.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -0.4540    0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653   -0.0339   -1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863   -1.3354   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1183    2.0871    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7261    2.7017   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912    2.2393   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767    0.5398   -1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5154    1.0584   -1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1155    1.6451    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2 27  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$