Molecule FYI-1001566

Home > Molecule

A

Molecule Summary:

ID: FYI-1001566
SMILES: c1(c2n[nH]c3c2cccc3)cccc2c1CCCC2

Received at FYIcenter.com on: 2022-09-10

Molecule ID: FYI-1001566 Edit

Molecule Structure SMILES String: c1(c2n[nH]c3c2cccc3)cccc2c1CCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001566
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.4281    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.6248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    9.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  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
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  1  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  3  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001566-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   -1.1717   -1.4443    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235   -2.9181    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748   -3.5915    0.8796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670   -4.8688    0.8444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642   -5.0762    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -3.8262   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4493   -3.7384   -0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2430   -4.8812   -1.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384   -6.1088   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262   -6.2367    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3892   -0.7360    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4302    0.6532   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445    1.3696   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    0.7082   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398   -0.7085   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3906   -1.4047   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702   -0.5205   -0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971    0.8108    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418    1.5572   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746   -5.5613    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7787   -2.7964   -1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875   -4.8053   -1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4737   -6.9821   -0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3044   -7.1949    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3347   -1.2558    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    1.1720   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2856    2.4555   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775   -2.2603   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755   -1.7701    1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630   -0.3538   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095   -1.0324   -0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830    1.4156    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    0.6438    1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    1.9168   -1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211    2.4358    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 15  2  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1668👍, 0💬