Molecule Editor

Molecule ID: FYI-1001787 Edit

Molecule Structure SMILES String: C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001787
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    8.3798    0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    1.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1735    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0599    2.2611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1873    1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0041    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0041    4.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925    2.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049    3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436    2.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240    3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    4.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271    3.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6806    5.1419    0.0000 N   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
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
  3 21  1  6  0  0  0
 22 21  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001787-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    2.3516   -0.5736   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -0.5374   -1.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785    0.4313   -1.6926 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9793    1.3335   -0.6462 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    0.8645   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402    2.5439   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    3.2044    0.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    2.9916   -0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    4.4523   -1.0353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715    4.9152   -1.7608 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4709    4.3881   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7161    4.8972   -1.8287 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6560    4.4253   -3.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    4.9951   -3.9836 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1555    4.4863   -3.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4357    6.5259   -3.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    6.9883   -2.4556 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7386    6.4286   -1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2239    6.4669   -1.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    8.4088   -2.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378   -0.2998   -1.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7023   -0.8791   -0.9869 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861   -0.9173   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147   -1.2401    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3247   -1.5310   -2.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158   -0.1227   -2.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    0.9981   -2.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    0.9549    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    1.4875   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717    2.5433   -0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920    2.5966   -1.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1235    4.8673   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5063    4.7041   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5051    3.2936   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6155    4.4969   -1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5589    4.7445   -3.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6349    3.3286   -3.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3807    4.6664   -5.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521    4.8732   -3.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274    3.3959   -3.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069    6.9118   -4.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585    6.9493   -4.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6383    6.8097   -2.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8035    6.7825   -0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328    6.8290   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221    6.9034   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3027    8.7119   -2.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 27  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
$$$$