Molecule FYI-1005547

A

Molecule Summary:

ID: FYI-1005547
Names:
InChIKey: UTIZDTUEXVUMCP-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(N(C)c1ccccc1)c(C=O)cc23

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

Molecule ID: FYI-1005547 Edit

Molecule Structure InChIKey: UTIZDTUEXVUMCP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(N(C)c1ccccc1)c(C=O)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005547
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 O   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
    6.0622    3.5000    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
    3.6373    3.5000    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
    4.8498    1.4000    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
    7.2746    1.4000    0.0000 N   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    0.0000    1.4000    0.0000 O   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21  5  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005547-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
   -0.3969   -3.0065   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492   -1.5130   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582   -0.9312   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9575    0.5267   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0894    1.0066   -0.0509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    1.3115   -0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4713    0.7333   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    1.6149   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    1.1627   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9327    2.1306    0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    1.9576   -0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349    3.4166    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1372    3.5647    1.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    4.7935    2.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    5.9104    1.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3896    5.8027    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412    4.5729    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.2435   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677   -0.9206    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -2.0677   -0.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9490   -1.1234   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378   -0.6475   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -3.5145   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1389   -3.3227    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -3.3639   -0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754   -1.5114    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.6811   -0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3213    0.9431   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.2240   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    2.5832   -1.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    2.7082    2.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    4.8706    3.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    6.8592    2.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787    6.6741    0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    4.5560   -0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754   -0.3588    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -2.1955   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  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 22  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1071👍, 0💬