Molecule FYI-1004221

A

Molecule Summary:

ID: FYI-1004221
Names:
InChIKey: OMWJVHRENFBLQE-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004221 Edit

Molecule Structure InChIKey: OMWJVHRENFBLQE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004221
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  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  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
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 23 22  1  0  0  0  0
 23 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 12  2  0  0  0  0
 25 10  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  8  1  0  0  0  0
 28  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004221-3D
FYIcenter.com

 50 52  0  0  0  0  0  0  0  0999 V2000
    3.3549   -0.1022   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901   -0.1018   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645    1.2809    0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988   -0.4206   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496   -1.1499    0.7872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820   -1.0484    1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2829   -0.1517    0.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0266   -2.0947    1.8935 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3682   -2.1961    2.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035   -1.0715    2.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405   -1.1715    2.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682   -2.3940    3.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2626   -3.5358    3.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7896   -4.7872    3.6379 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1273   -5.0438    3.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703   -4.2722    3.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519   -6.3267    4.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5094   -6.2628    5.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -7.3632    6.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0567   -8.4822    6.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0087   -8.5482    5.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2318   -9.6869    5.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8303  -10.1880    4.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6194  -11.5259    4.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7315   -9.3421    3.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0987   -7.9917    3.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094   -7.5685    4.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991   -3.4237    2.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.6436   -2.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -1.0876   -1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252    0.1184   -1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    2.0556   -0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879    1.5996    0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2397    1.2705    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7269    0.3313   -0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539   -0.4408    0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -1.4008   -0.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -2.8754    1.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8461   -0.0801    2.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730   -0.2899    2.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1214   -2.3999    3.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1164   -5.5242    3.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0852   -5.3459    5.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7396   -7.3384    7.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3002   -9.3420    6.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4249   -9.6882    6.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1043  -11.9453    4.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3942   -9.7244    2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -7.3289    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2640   -4.3040    2.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  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 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
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 23 24  1  0  0  0  0
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 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2339👍, 0💬