Molecule FYI-1015692

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A

Molecule Summary:

ID: FYI-1015692
Names:
InChIKey: IJTZLIDTWCNUAR-UHFFFAOYSA-N
SMILES: c3cnc2ccc(c1ccncc1)cc2c3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015692 Edit

Molecule Structure InChIKey: IJTZLIDTWCNUAR-UHFFFAOYSA-N

Molecule Structure SMILES String: c3cnc2ccc(c1ccncc1)cc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015692
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   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  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015692-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
   -3.5867   -0.9955    0.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041    0.4028   -0.0447 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193   -0.2841    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7547    0.5546   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3675    0.7771   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -0.7475    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463   -0.0504    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.5692    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540   -1.7901    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6699    1.6045   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8071   -1.0407   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630    1.1662    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0338    1.3521   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4365    0.0457   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1653   -0.7669   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.3414    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0154    1.7913   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -2.4285    0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -2.8051    0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253    2.6254   -0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693   -1.9999   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526    1.9695    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    2.1519   -0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4900   -0.2118    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784   -1.5031   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    2.2692    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  2  0  0  0  0
  2 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 717👍, 0💬