Molecule FYI-1000435

Home > Molecule

A

Molecule Summary:

ID: FYI-1000435
SMILES: Oc1ccc(cc1)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Received at FYIcenter.com on: 2021-06-24

Molecule ID: FYI-1000435 Edit

Molecule Structure SMILES String: Oc1ccc(cc1)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000435
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   13.2042    5.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    5.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756    3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8387    1.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    5.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.0000    0.0000 O   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  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
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000435-3D
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    2.1967   -0.2389    0.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8477   -0.1425    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    1.0774    0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1523    1.1312   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385   -0.0297    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924   -1.2514    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0956   -1.3059    0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4427    0.0642   -0.0732 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9852   -0.7561   -1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9131   -1.7062   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9560   -1.5483    0.7701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1983   -0.4649    1.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7252   -2.6950   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9293   -3.0196   -0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8368   -3.8773   -1.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1008   -4.2398   -1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9460   -5.0299   -1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5357   -5.4579   -3.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2769   -5.1056   -3.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4470   -4.3237   -2.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1856   -3.9976   -3.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2821   -3.2206   -2.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1702   -2.9906   -3.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5801    0.6520    0.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.9902    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    2.0926   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -2.1728    0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -2.2547    0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7238    1.1150   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2008   -1.2948   -1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5690   -0.1451   -1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441   -0.5599    1.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2760   -2.6246    0.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4458   -3.9132   -0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9308   -5.3089   -1.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1976   -6.0655   -3.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9454   -5.4309   -4.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 483👍, 0💬