Molecule Editor

Molecule ID: FYI-1015066 Edit

Molecule Structure InChIKey: SUENNALIUZVZEP-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccc4c(c1)C(c2ccccc2)=NCC3=NCCN34

Download SDF Download SVG Structure in 2D SDF:

FYI-1015066
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327    1.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589    0.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9434    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1591    0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0127    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1318    3.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8466    5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5088    6.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1973    7.6507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4825    5.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7941    3.9687    0.0000 C   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
  6  1  1  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  1  0  0  0  0
 11 10  2  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
 14 10  1  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 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21  7  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015066-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   14.5090   -1.2080    0.4656 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8324   -0.8294    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1493   -0.8934    1.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7722   -0.7081    1.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450   -0.5331    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7491   -0.3958   -0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1621   -0.5145   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0813   -0.2216   -2.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7216   -0.8300   -3.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3811   -2.0639   -3.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9635   -2.5970   -4.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8535   -1.9247   -5.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581   -0.7186   -5.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5963   -0.1716   -4.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9789    0.4121   -2.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1455    0.9799   -1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7539   -0.1341   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5915   -0.7389   -0.3860 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6764   -1.7991    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1436   -1.8928    1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6443   -0.6027    0.6193 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6668   -1.1099    2.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2420   -0.7432    2.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7451   -0.4194   -1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4444   -2.6308   -2.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4949   -3.5442   -4.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2937   -2.3497   -6.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0447   -0.2080   -6.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0474    0.7658   -4.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    1.3938   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6549    1.7898   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236   -2.7582    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476   -1.5151    1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2585   -2.0512    2.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338   -2.7121    0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  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
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$