Molecule Editor

Molecule ID: FYI-1010566 Edit

Molecule Structure InChIKey: KAJDBRAOEGPAEV-UHFFFAOYSA-N

Molecule Structure SMILES String: NNC2(c1ccccc1Cl)CCCCC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010566
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6256    4.8842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256    3.4887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    3.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    0.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8343    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0428    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0428    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8343    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7606    0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  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 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010566-3D
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    2.9076   -1.2142    0.2280 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4965    0.1558   -0.0428 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969    1.1140    1.0091 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5375    0.9970    1.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1006    0.5127    2.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4787    0.3314    2.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460    0.5941    1.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8304    1.0375    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    1.2341    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9831    1.7110   -1.4958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5018    2.5252    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530    3.6103    1.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315    3.2583    2.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    1.9132    3.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    0.8380    2.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835   -0.2102    2.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -1.8185   -0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686   -1.6079    1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752    0.2330   -0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    0.2141    3.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8653   -0.0466    3.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4132    0.4255    1.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5117    1.2050   -0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    2.4690    0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883    2.8771   -0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2993    4.5663    1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072    3.7433    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670    3.2310    2.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516    4.0332    3.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    1.6248    4.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    1.9713    3.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  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
M  END
$$$$