Molecule Editor

Molecule ID: FYI-1016168 Edit

Molecule Structure InChIKey: QLKRAKYZQCJDSA-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc2cnc(N1CCNCC1)nc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016168
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 N   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   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
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016168-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
   -4.4294   -0.0084   -0.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054    0.0080    0.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    0.0072   -0.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9934   -1.1922    0.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9974    1.1961   -0.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055   -1.1889   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    1.2741   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316   -1.2333    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565    1.1419    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3940    0.0037    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3420   -1.1595    0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459    1.1555   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -0.0042    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187   -1.1807   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076   -2.1129   -0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    2.0798    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449    1.5647   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164   -1.4162    1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6677   -2.0710   -0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7104    2.0607    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1427    1.0310    1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935   -0.0547    0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262   -2.1226    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8290    2.1180   -0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7439    0.9036   -0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$