Molecule FYI-1005515

Home > Molecule

A

Molecule Summary:

ID: FYI-1005515
Names:
InChIKey: NCIYCSASBSFDJA-UHFFFAOYSA-N
SMILES: O=c2[nH]c1ccccc1c2=Nc3ccccc3Cl

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005515 Edit

Molecule Structure InChIKey: NCIYCSASBSFDJA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2[nH]c1ccccc1c2=Nc3ccccc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005515
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9557    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    2.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9308    4.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5613    4.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4292    0.0000 Cl  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  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005515-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
   -3.2027   -1.7310   -1.7059 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3132   -3.1324    0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729   -1.1926   -0.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854   -1.4273    0.4152 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    0.1981   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   -0.9171   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361   -0.1877    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   -1.9765    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -0.3159    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107    1.5344   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703    0.8595   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949    2.4421   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    2.0935   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9642   -0.4625   -0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5971    0.7240    1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0147    0.4229   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475    1.6094    1.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563    1.4589    0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -2.1533   -0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052    1.8116   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051    0.6096    0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    3.4610   -0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1157    2.8852   -0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6906    0.8468    1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9634    0.3194   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284    2.4094    2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750    2.1469    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 2360👍, 0💬