Molecule FYI-1002567

A

Molecule Summary:

ID: FYI-1002567
Names:
InChIKey: GUKYQGDOIHHRSF-UHFFFAOYSA-N
SMILES: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc3ccccc3

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

Molecule ID: FYI-1002567 Edit

Molecule Structure InChIKey: GUKYQGDOIHHRSF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002567
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.6322    7.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    8.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085   10.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    9.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    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 C   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
    8.4871    2.1000    0.0000 C   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
    0.0000    7.0000    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-1002567-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.0642   -0.0046    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947   -0.1766    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    0.9893   -0.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    0.6891   -0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198   -0.6584   -0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0727   -1.2466   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -2.6780   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6453   -3.3885   -1.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974   -3.1600   -0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8374   -4.5211   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182   -5.4642   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894   -6.8081   -0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780   -7.9316   -1.8906 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -7.2483   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609   -6.3300    0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9143   -4.9617    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -4.0148    1.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997   -3.0088    2.0509 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029   -4.3422    1.8720 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9029   -3.6925    2.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041   -2.7940    3.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4539   -2.1839    4.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -2.4671    4.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2150   -3.3768    3.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651   -3.9957    2.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    1.0538    0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022   -0.3876   -0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761   -0.5245    1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    1.5218   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -1.1837   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182   -2.5539    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4302   -5.1830   -1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -8.3009    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0242   -6.7091    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4169   -5.0469    1.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4567   -2.5620    3.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1294   -1.4852    5.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5440   -1.9819    5.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718   -3.6016    3.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6137   -4.6995    1.8658 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
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 2393👍, 0💬