Molecule FYI-1007746

A

Molecule Summary:

ID: FYI-1007746
Names:
InChIKey: ITEVWDZQCRRYSU-UHFFFAOYSA-N
SMILES: CN(C)C(=O)CCN(C)C(=O)c1cc(Cl)cc2cccnc12

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007746 Edit

Molecule Structure InChIKey: ITEVWDZQCRRYSU-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)CCN(C)C(=O)c1cc(Cl)cc2cccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007746
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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
    7.2747    2.1000    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
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 O   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
    0.0000    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
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    4.2000    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  2 21  1  0  0  0  0
  1 18  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007746-3D
FYIcenter.com

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.0821    3.1638    4.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343    3.1402    4.1955 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    3.9378    5.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    2.3599    3.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    1.6889    2.3995 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671    2.4055    3.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562    1.5528    2.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417    1.5159    2.2146 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4289    0.6125    1.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5894    2.3507    3.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672    3.1782    3.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0809    2.3325    3.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7887    2.4161    1.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1728    2.4583    1.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    2.4512    0.4185 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    2.5313    3.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599    2.5557    4.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8585    2.7436    5.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1746    2.8043    6.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094    2.6235    6.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1137    2.4139    5.5527 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7495    2.4218    4.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7256    3.8105    5.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    2.1447    4.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    3.5317    3.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019    4.4760    5.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9035    4.6627    4.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9143    3.2747    5.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831    2.0611    4.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9388    3.4531    3.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584    1.8835    1.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102    0.5164    2.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6883   -0.1111    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    0.0742    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472    1.1954    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2654    2.4841    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9468    2.5954    3.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9381    2.8762    5.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6895    2.9883    7.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2127    2.6643    7.5969 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  1  0  0  0  0
  2  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  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
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 923👍, 0💬