Molecule Editor

Molecule ID: FYI-1016184 Edit

Molecule Structure InChIKey: BDQNKCYCTYYMAA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C=Nc1cccc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016184
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   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
  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  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016184-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
   -3.2597   -1.2975   -1.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0924   -0.4504    0.7976 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -0.1704    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    0.6944   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0092    0.3626    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0746    2.0664   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.5423    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6145    0.1616   -0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465    1.7285    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2065    2.5788   -0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8120   -2.0545    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520   -1.2041   -0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -0.8732   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723    2.7496   -0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -2.2420    0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4423    0.8077   -0.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    2.1427    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    3.6421   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -3.1173    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -1.6033   -0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$