Molecule FYI-1002570

A

Molecule Summary:

ID: FYI-1002570
Names:
InChIKey: DVHNEVRQOJPCCG-UHFFFAOYSA-N
SMILES: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc3cccnc3

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

Molecule ID: FYI-1002570 Edit

Molecule Structure InChIKey: DVHNEVRQOJPCCG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc3cccnc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002570
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 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   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-1002570-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.0794   -0.0091    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -0.1794    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057    0.9872   -0.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2293    0.6886   -0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -0.6575   -0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0740   -1.2487   -0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039   -2.6783   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518   -3.3918   -1.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4017   -3.1612   -0.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402   -4.5218   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192   -5.4662   -0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5915   -6.8111   -0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -7.9362   -1.8911 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -7.2504   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2649   -6.3299    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9192   -4.9622    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6804   -4.0138    1.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1137   -3.0042    2.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0118   -4.3389    1.8492 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9136   -3.6735    2.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302   -2.7652    3.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009   -2.1508    4.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315   -2.4706    4.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2453   -3.3656    3.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788   -3.9469    2.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    1.0514    0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045   -0.4133   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003   -0.5090    1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9029    1.5223   -0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1869   -1.1838   -1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235   -2.5544    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -5.1845   -1.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   -8.3031    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291   -6.7089    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4241   -5.0448    1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -2.5288    3.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200   -1.4369    5.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6206   -2.0038    4.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6606   -4.6554    1.8762 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
 25 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 529👍, 0💬