Molecule FYI-1002569

A

Molecule Summary:

ID: FYI-1002569
Names:
InChIKey: OFZWQSOHVBOAEO-UHFFFAOYSA-N
SMILES: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc3ccncc3

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002569 Edit

Molecule Structure InChIKey: OFZWQSOHVBOAEO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc3ccncc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002569
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.6322    5.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.4710    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   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
    2.4249    4.9000    0.0000 C   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  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
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  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 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002569-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.1119   -0.0004    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235   -0.1748   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150    0.9929   -0.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181    0.6923   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252   -0.6572   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -1.2455   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2057   -2.6795   -0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -3.3973   -1.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -3.1524   -0.0287 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8561   -4.5138   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -5.4684   -0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -6.8090   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -7.9495   -1.8488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6332   -7.2365   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -6.3060    0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538   -4.9400    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368   -3.9787    1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723   -2.9776    1.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0804   -4.2845    1.7217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -3.5820    2.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6606   -2.6691    3.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6712   -2.0178    4.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -2.2165    3.9661 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3081   -3.1221    3.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3713   -3.8344    2.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585    1.0613    0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205   -0.4327   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2473   -0.4725    1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941    1.5262   -0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948   -1.1835   -1.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474   -2.5396    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175   -5.1955   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -8.2874    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918   -6.6706    1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4697   -4.9909    1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6297   -2.4622    3.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386   -1.2947    4.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3734   -3.2606    2.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -4.5453    1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1935👍, 0💬