Molecule Editor

Molecule ID: FYI-1015849 Edit

Molecule Structure InChIKey: XZUZHYYMFRRACB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)CC(=O)/C(=N/Nc1ccccn1=O)C(=O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015849
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.8871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015849-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.0956   -0.1145   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.0778    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -0.0104    1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398   -1.3496   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290   -1.4127   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107   -2.4845   -0.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.0879   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598   -0.0002    0.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2686   -1.1489    0.3696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4260   -1.1124    1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241    0.0328    1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3548    0.0160    2.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7002   -1.1434    2.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9117   -2.2807    2.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7844   -2.2849    1.8539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0710   -3.3432    1.7587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356    1.2315   -0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    2.3024   -0.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362    1.1504   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -0.9899   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    0.7783   -0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640   -0.1697   -1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -0.8915    2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    0.0410    2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620    0.8746    1.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4115   -2.2347   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -1.4333   -1.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8051   -2.0727    0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545    0.9383    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9626    0.9120    2.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5754   -1.1641    3.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905   -3.2268    3.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128    2.0684   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    1.1440   -1.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$