Molecule FYI-1003452

A

Molecule Summary:

ID: FYI-1003452
Names:
InChIKey: UCOAKFIVSAVHLC-UHFFFAOYSA-N
SMILES: Cc3cc(C)cc(C(=O)c1c(C(C)C)c(=O)[nH]c(=O)n1CC2CC2)c3

Received at FYIcenter.com on: 2023-06-19

Molecule ID: FYI-1003452 Edit

Molecule Structure InChIKey: UCOAKFIVSAVHLC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C)cc(C(=O)c1c(C(C)C)c(=O)[nH]c(=O)n1CC2CC2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003452
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 19  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003452-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
    3.2563    1.4865   -1.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223    0.7819    2.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032   -2.7339   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905    0.9156   -0.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177   -0.6040   -1.0662 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    3.2153    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4096    3.6545    1.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092    4.5970    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.2233   -0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -0.0490    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876    0.6697   -1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409   -1.2751    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325   -2.3609    1.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3499    0.2692    0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6906   -1.6194   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -3.5910    0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9734   -2.7017    2.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354   -0.0205    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184   -0.5789   -0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8174    0.2751    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8294   -0.8518   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0283    0.0020    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0344   -0.5612   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362   -1.4554   -2.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3168    0.3126    0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    3.1105    0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    3.3114    1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102    3.8336    2.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752    5.4122    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648    4.8455   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321    2.1424   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338    2.6132   -1.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318   -2.0293    1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764   -0.8130   -1.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085   -4.1694    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -3.3289   -0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318   -4.2761    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179   -3.3336    3.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347   -3.2577    2.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3425   -1.7991    2.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023   -0.8137   -1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8213    0.7159    1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9790   -0.7703   -1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7797   -1.9727   -3.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -2.1963   -3.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963   -0.6765   -3.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6228    1.3394    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2235    0.2023    2.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1115   -0.3683    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 3330👍, 0💬