Molecule FYI-1001952

Home > Molecule

A

Molecule Summary:

ID: FYI-1001952
SMILES: ClC1=CC([C@H]2C3=CC=CC=C3C(N(C)N=O)CC2)=CC=C1Cl

Received at FYIcenter.com on: 2023-01-04

Molecule ID: FYI-1001952 Edit

Molecule Structure SMILES String: ClC1=CC([C@H]2C3=CC=CC=C3C(N(C)N=O)CC2)=CC=C1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001952
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    8.4871    7.7001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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
    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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    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  1  6  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 18  5  1  0  0  0  0
 19  4  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001952-3D
FYIcenter.com

 38 40  0  0  1  0  0  0  0  0999 V2000
    1.0567    1.5013    1.8324 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832    0.6943    0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4344    1.3205    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4744    0.7427    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7915    1.4625   -0.1906 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2545    2.4676    0.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8018    1.9916    2.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2564    2.8752    3.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519    4.2474    2.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041    4.7388    1.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1711    3.8632    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6906    4.4731   -0.6690 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7567    5.2828   -1.3064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9373    4.5339   -1.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3031    6.1951   -2.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2051    6.9070   -2.5957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0102    3.4377   -1.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7164    2.0855   -1.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453   -0.5049   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9999   -1.1300   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389   -0.5243    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5744   -1.3161    0.2927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780    2.2809    1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5719    0.6874   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8912    0.9217    2.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6998    2.4907    3.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5075    4.9370    3.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5520    5.8176    1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903    5.1694   -0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2119    3.7325   -1.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7955    4.0919   -2.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8180    5.1861   -1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770    3.2940   -1.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9203    3.8188   -2.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019    1.4197   -2.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7311    2.1951   -1.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0302   -0.9815   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403   -2.0763   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 24  1  6  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-30, 1495👍, 0💬