Molecule FYI-1000447

Home > Molecule

A

Molecule Summary:

ID: FYI-1000447
SMILES: O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN21

Received at FYIcenter.com on: 2021-07-02

Molecule ID: FYI-1000447 Edit

Molecule Structure SMILES String: O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN21

Download SDF Download SVG Structure in 2D SDF:

FYI-1000447
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    2.1560   -1.9587   -0.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707   -0.7904   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.2000   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5056    1.5083   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1769    1.8205    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523    0.8357    0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775    1.2563    0.6277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2060    2.1958    1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8663    1.4122   -0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682    0.1654   -1.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3044   -0.9694   -0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531   -1.1470    0.5902 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3265   -1.9292    1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947    0.1511    1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913   -1.5600    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -0.4653    0.2668 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643   -0.0689   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    2.2891   -0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8837    2.8529    0.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9320    1.5907   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    2.2462   -1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0061    0.2579   -2.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790   -0.7955   -0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195   -1.8774   -1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373    0.0205    2.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    0.4042    1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0317   -1.9671    1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1504   -2.3363   -0.1740 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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 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
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000447-3D
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    0.9612    0.0719    0.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893    0.0166    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701    1.2512    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3053    1.2244    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    0.0047   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -1.1415   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0696   -2.4509   -0.4980 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4797   -3.1148    0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312   -3.4238    1.6975 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2770   -4.1529    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -3.6606   -0.4420 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2081   -3.4506   -1.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -2.3490   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299   -1.1463   -0.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059    2.1438    0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    2.1179    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854    0.0406   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -2.2509   -1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1675   -2.4620    1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0378   -4.0383    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9431   -2.5398    2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710   -4.1260    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728   -5.2075    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3208   -4.4293   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9687   -3.0783   -2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391   -4.4017   -1.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.4096    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -2.1927   -1.4616 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 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  6  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  6  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-16, 1969👍, 0💬