Molecule FYI-1001328

Home > Molecule

A

Molecule Summary:

ID: FYI-1001328
SMILES: CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C

Received at FYIcenter.com on: 2022-05-18

Molecule ID: FYI-1001328 Edit

Molecule Structure SMILES String: CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001328
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4428    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    4.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    4.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    4.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    4.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.2311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    6.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    5.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    6.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    7.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    7.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    6.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    4.9363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    6.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2311    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  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  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20  2  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001328-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    0.9653    0.1423    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797    0.0090    0.2846 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8427   -0.0347   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -1.2708   -2.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718   -2.5575   -1.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150   -2.5259   -1.1735 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -3.5846   -1.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070   -1.3632   -2.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910   -0.6314   -3.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -0.8705   -3.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152   -1.7729   -3.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748   -2.4186   -1.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751   -2.2197   -1.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488   -1.1885   -3.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241   -0.1523   -3.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5706   -0.1033   -5.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2404   -1.0714   -6.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -2.0989   -5.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429   -2.1671   -4.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1480    1.1664    0.9767 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8512    1.2018    2.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054    1.1924    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246   -0.7165    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684    1.0398    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852    0.1634    1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219   -0.9217    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350    0.0011   -1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4929    0.8967   -1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338   -1.9525   -1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7893   -3.4054   -0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8614    0.0808   -4.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -0.3653   -4.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8380   -1.9805   -3.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785   -3.0875   -1.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4372   -2.7535   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    0.6550   -3.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2427    0.7075   -5.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6516   -1.0183   -7.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0822   -2.8411   -6.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409   -2.9689   -4.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041    1.4488    2.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150    2.0027    2.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    0.2555    2.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    1.4228   -0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721    0.2504    1.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0463    2.0021    1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1584👍, 0💬