Molecule FYI-1005565

A

Molecule Summary:

ID: FYI-1005565
Names:
InChIKey: FLZKCTRTYLUUQC-UHFFFAOYSA-N
SMILES: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2Nc3ccccc3

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005565 Edit

Molecule Structure InChIKey: FLZKCTRTYLUUQC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2Nc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005565
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   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
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005565-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.6014   -1.6646    4.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4683   -1.4465    2.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487   -2.0541    2.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5212   -1.8381    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054   -2.4549   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103   -2.2624   -1.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782   -1.3372   -2.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365   -3.2257   -2.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047   -3.8477   -2.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2494   -4.7461   -2.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4848   -5.4049   -2.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0893   -5.1813   -0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989   -6.2362   -3.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6093   -6.5272   -4.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2173   -7.2969   -5.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4435   -5.8965   -4.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774   -5.0149   -4.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6277   -4.4155   -4.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9080   -3.4686   -3.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7467   -2.8723   -4.4009 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5452   -2.5695   -5.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -2.5065   -6.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0409   -2.2840   -7.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1257   -2.0947   -8.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4168   -2.1010   -8.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6187   -2.3170   -6.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535   -1.2154    4.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5199   -1.2080    4.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6235   -2.7325    4.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086   -0.3712    2.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313   -1.8964    2.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7068   -3.1283    2.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833   -1.6043    2.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4631   -0.7644    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882   -2.2865    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7373   -3.5274    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6378   -1.9944    0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8381   -3.6010   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5085   -4.5288   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0821   -4.7288   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1988   -6.1357   -0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0153   -6.7512   -2.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110   -4.6848   -5.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3813   -2.1154   -3.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   -2.6702   -5.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316   -2.2746   -8.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9668   -1.9403   -9.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720   -1.9497   -8.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381   -2.3032   -6.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1847👍, 0💬