Molecule FYI-1001224

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A

Molecule Summary:

ID: FYI-1001224
SMILES: C#CCCCCN2CCN(c1ccccc1)CC2

Received at FYIcenter.com on: 2022-03-23

Molecule ID: FYI-1001224 Edit

Molecule Structure SMILES String: C#CCCCCN2CCN(c1ccccc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001224
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   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
    1.2124    2.8000    0.0000 C   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  8  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
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001224-3D
FYIcenter.com

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.2388   -7.3827   -2.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8466   -6.1926   -2.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3894   -4.8051   -2.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926   -4.5209   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6674   -3.1451   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3164   -2.6920    0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7831   -2.6194    0.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909   -2.0782    2.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9655   -0.5882    2.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3614    0.2465    1.3765 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1981    1.3409    1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1861    1.4188    2.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0737    2.4947    2.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9840    3.5124    1.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997    3.4841    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    2.4184    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   -0.2524    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   -1.7685   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5605   -8.3553   -3.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006   -4.7948   -2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6755   -4.0770   -2.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1805   -4.5831   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8309   -5.2871   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821   -3.1546   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666   -2.4170   -1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0123   -3.3876    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8668   -1.7231    1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3812   -2.2031    2.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9135   -2.6831    3.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336   -0.2792    3.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8896   -0.4586    2.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3264    0.6178    3.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8494    2.5131    3.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6940    4.3394    1.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9192    4.2790   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3165    2.4226   -0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7301    0.2176   -0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453    0.0007   -0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4166   -1.9275   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951   -2.1085   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 1948👍, 0💬