Molecule FYI-1001297

Home > Molecule

A

Molecule Summary:

ID: FYI-1001297
SMILES: C1C=CC=C2OCC(C(=O)NC3=C(C)C=CC(C)=C3)=CC=12

Received at FYIcenter.com on: 2022-05-06

Molecule ID: FYI-1001297 Edit

Molecule Structure SMILES String: C1C=CC=C2OCC(C(=O)NC3=C(C)C=CC(C)=C3)=CC=12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001297
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.6994    3.5000    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
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    7.2747    3.5000    0.0000 C   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
  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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  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 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 12  1  0  0  0  0
 20  8  2  0  0  0  0
 21 20  1  0  0  0  0
 21  1  2  0  0  0  0
 21  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001297-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
   -1.2201   -1.1944    0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919   -0.4441    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3462    0.8411    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291    1.3763   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374    0.6182   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    1.2232   -0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896    0.3412   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3533   -0.9190   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -1.5034    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7038   -0.7846   -0.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7646   -2.8742    0.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9837   -3.5828    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074   -4.7620   -0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2799   -5.2709   -1.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4052   -5.4685   -0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3670   -5.0167    0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537   -3.8395    1.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1672   -3.3508    2.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643   -3.1247    1.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615   -1.4052    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -0.6663    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728   -2.1847    1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3399   -0.8601    0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580    1.4286    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859    2.3817   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1935    0.9484   -0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2405    0.0744   -1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9484   -3.4022   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4784   -4.5683   -1.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -6.2184   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8418   -5.4262   -2.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6119   -6.3708   -0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2841   -5.5842    0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479   -4.0006    2.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334   -3.3348    3.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039   -2.3434    2.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7931   -2.2137    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613   -2.2736    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 455👍, 0💬