Molecule FYI-1008129

A

Molecule Summary:

ID: FYI-1008129
Names:
InChIKey: WUXTYVHXWDGPIQ-LFYBBSHMSA-N
SMILES: CN(C)c2ccc(/C=C/C(=O)c1ccc(Cl)cc1)cc2

Received at FYIcenter.com on: 2024-04-17

Molecule ID: FYI-1008129 Edit

Molecule Structure InChIKey: WUXTYVHXWDGPIQ-LFYBBSHMSA-N

Molecule Structure SMILES String: CN(C)c2ccc(/C=C/C(=O)c1ccc(Cl)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008129
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  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 10  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
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008129-3D
FYIcenter.com

 36 37  0     0  0  0  0  0  0999 V2000
   -6.7926    2.1277   -0.1680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889   -2.5759    0.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6455    0.8759    0.0983 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3474    0.3313    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.7465   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333    1.1605    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775   -1.0368   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    0.6216    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934   -1.5757   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4403   -1.3081   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8981    2.0464    0.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7468    0.2640   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1617   -0.4908    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6326   -0.6887    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -1.3567    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0503    0.7601   -0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3573   -0.9601    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1805    1.5749   -0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   -0.1453    0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3989    1.1223   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316    2.2321    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232   -1.7122   -0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1182    1.3159    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7801   -2.6449   -0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3546   -2.2849   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886    2.9579    0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9648    2.1454    1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3734    1.9865    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5833    0.9633   -0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4510   -0.0339   -1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1203   -0.6135   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6153    0.2769    0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222    1.1332   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4410   -1.9423    1.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    2.5585   -1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4300   -0.5106    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1165👍, 0💬