Molecule FYI-1005526

A

Molecule Summary:

ID: FYI-1005526
Names:
InChIKey: YEQUGNOXJNFEJI-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(Nc1ccccc1)c(C=O)cc23

Received at FYIcenter.com on: 2023-11-02

Molecule ID: FYI-1005526 Edit

Molecule Structure InChIKey: YEQUGNOXJNFEJI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(Nc1ccccc1)c(C=O)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005526
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    7.2746    0.0000    0.0000 N   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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005526-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.3565   -3.0312   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603   -1.5462    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924   -1.0156   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0614    0.4323   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.8583   -0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580    1.2610   -0.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    0.7334   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    1.6693   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    1.2678   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7408    2.2338   -0.1682 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226    3.5773    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413    4.0016    1.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379    5.3528    1.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260    6.3007    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    5.8944   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4300    4.5376   -0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814   -0.1124   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694   -0.6374   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558    0.0869   -0.0658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302   -1.0531    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923   -0.6354    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -3.5705   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848   -3.3578    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -3.3372   -0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6849   -1.6331   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1132    2.7213   -0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753    1.8566   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051    3.2779    1.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2139    5.6568    2.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    7.3561    1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    6.6350   -0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316    4.2414   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782   -1.7334    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698   -2.1125    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1777👍, 0💬