Molecule FYI-1015690

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A

Molecule Summary:

ID: FYI-1015690
Names:
InChIKey: YFQCWCPTVFLXDV-UHFFFAOYSA-N
SMILES: c3ccc(c2ccc1nccnc1c2)cc3

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

Molecule ID: FYI-1015690 Edit

Molecule Structure InChIKey: YFQCWCPTVFLXDV-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(c2ccc1nccnc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015690
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 C   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 N   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-1015690-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    2.5992   -1.6318    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948    0.9621   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993    0.3029    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9268    0.0697    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.7735    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652   -0.5772    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    0.7364   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0022    1.5976   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761    1.8049   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6162   -0.0415    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   -0.0439   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929   -0.2662    1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9916   -0.2686   -1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6806   -0.3796   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215   -1.3849    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123   -0.1064   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010   -1.7921    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680    2.4571   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7524    2.8260   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0956    0.0445    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933    0.0401   -2.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5295   -0.3527    2.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5272   -0.3570   -2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7524   -0.5545   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702   -2.2516    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743    0.1036   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 15  1  0  0  0  0
  2  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  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 12  1  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 14  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 16  2  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, 1305👍, 0💬