Molecule Editor

Molecule ID: FYI-1011402 Edit

Molecule Structure InChIKey: LMGXQCRPDPJVJP-UHFFFAOYSA-O

Molecule Structure SMILES String: Cn2c[n+](C)c1C(=O)CC(N)=Cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1011402
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    1.6674    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011402-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.0680   -0.2836   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -0.0757   -0.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229   -1.0598   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385   -0.4964   -0.0625 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9058   -1.2199   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5026    0.8965   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085    1.9239   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7276    1.7314   -0.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9773    3.3750   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    3.5701   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122    4.8695   -0.2229 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    2.5246   -0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1526    1.1533   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446   -1.3536   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416    0.1716   -0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6395    0.1795    0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140   -2.1233   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130   -2.2964   -0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4771   -0.9584    0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4665   -0.9569   -0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4246    3.8741   -0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593    3.8552    0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    5.5990    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    5.0483    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    2.6623   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
$$$$