Molecule FYI-1001037

Home > Molecule

A

Molecule Summary:

ID: FYI-1001037
SMILES: c1ccc2c(c1)CCc3ccccc3C2=CCCNI

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001037 Edit

Molecule Structure SMILES String: c1ccc2c(c1)CCc3ccccc3C2=CCCNI

Download SDF Download SVG Structure in 2D SDF:

FYI-1001037
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.3345    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9575    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9837    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6722    6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    5.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682    4.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5566    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4058    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001037-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.6908    0.0357    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3096   -1.3038    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899   -1.6636    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421   -0.6818   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336    0.6670   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    1.0183    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119    1.7248   -0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    1.9179   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5441    0.8010    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733    1.1580    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7786    0.2193    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654   -1.1082    0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537   -1.4858   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454   -0.5417   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -1.0291   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -1.7329   -2.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160   -2.1098   -2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497   -2.1834   -4.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -0.8966   -5.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928   -0.9081   -6.9914 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6327    0.3168    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -2.0677    1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935   -2.7091    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1665    2.0601    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2514    2.6787   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262    1.4786   -1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    2.1520    0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    2.8088   -0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457    2.1880    0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169    0.5238    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334   -1.8529    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -2.5381   -0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442   -2.0438   -2.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -3.0993   -2.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -1.4053   -2.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019   -2.9633   -4.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849   -2.4934   -4.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637   -0.1673   -4.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1563👍, 0💬