Molecule FYI-1001660

Home > Molecule

A

Molecule Summary:

ID: FYI-1001660
SMILES: CC(C)(C)CNC(=O)NC1=CC(I)=CC=C1

Received at FYIcenter.com on: 2022-10-25

Molecule ID: FYI-1001660 Edit

Molecule Structure SMILES String: CC(C)(C)CNC(=O)NC1=CC(I)=CC=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001660
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    8.9995    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001660-3D
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
    3.2106    0.1036   -1.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6462    0.1497   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205    1.4783    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105    0.0409   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689   -1.0404    0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -1.0555    1.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1018   -2.0969    1.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3550   -2.9196    2.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -2.0591    1.8898 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2315   -3.0208    2.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7489   -4.3084    2.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4653   -5.1815    3.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6682   -7.0494    4.1210 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.6906   -4.7962    4.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132   -3.5406    3.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4920   -2.6579    3.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046    0.9176   -2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -0.8416   -1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3007    0.1997   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6227    2.3301    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1065    1.6042    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162    1.5324    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819    0.8624   -0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    0.0712    0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.8995   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980   -1.9876    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6927   -1.0458    1.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2011   -0.7789    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940   -1.1521    1.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8034   -4.6394    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424   -5.4599    4.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1747   -3.2416    4.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9122   -1.6778    2.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-16, 479👍, 0💬