Molecule FYI-1000448

Home > Molecule

A

Molecule Summary:

ID: FYI-1000448
SMILES: O=C1C=CC=C2[C@H]3CNCC(C3)CN21

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

Molecule ID: FYI-1000448 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1000448
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    2.1554   -1.9585   -0.3172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707   -0.7902   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    0.1998   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5067    1.5081   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1782    1.8208    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    0.8364    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    1.2575    0.6284 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2047    2.1966    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8652    1.4146   -0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676    0.1682   -1.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045   -0.9667   -0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533   -1.1454    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944    0.1522    1.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.5730    0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -0.4647    0.2665 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647   -0.0695   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2470    2.2886   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8855    2.8533    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9308    1.5936   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    2.2488   -1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    0.2616   -2.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790   -0.7923   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.8744   -1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3272   -1.9277    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371    0.0207    2.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9484    0.4057    1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -1.9798    1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1635   -2.3530   -0.1730 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
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000448-3D
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    0.9415   -0.3484   -0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575   -0.2548    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075   -1.4437   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313   -1.3695   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9490   -0.1520    0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2262    0.9630    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9062    2.2873    1.0226 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7337    2.8564   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639    3.6506   -1.1303 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5303    3.3473   -1.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741    3.3983    0.2791 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9094    3.3808    1.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    2.1406    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363    0.9220    0.4340 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4982   -2.3294   -0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663   -2.2143   -0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0286   -0.1576    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5747    2.1092    1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880    2.0628   -0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4925    3.5333    0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457    3.4961   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737    2.3806   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    4.0734   -1.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2476    4.2933    0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459    3.1804    2.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4048    4.3563    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    2.0952   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457    2.1617    1.4864 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  1  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  0  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, 1838👍, 0💬