Molecule FYI-1015426

A

Molecule Summary:

ID: FYI-1015426
Names:
InChIKey: BMOPJMVFEYOFIX-DHZHZOJOSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccccc1)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015426 Edit

Molecule Structure InChIKey: BMOPJMVFEYOFIX-DHZHZOJOSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccccc1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015426
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.8447    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    0.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4521    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8445    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0979    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1384    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9964    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    0.7904    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  4  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
 10  9  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
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  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 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015426-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.5067    0.0296    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    0.0980    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9670   -0.8572    0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.3103    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104   -2.9234    0.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1981   -2.9927    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584   -4.3227    0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -4.8774    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627   -5.2166    1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5840   -5.6625    1.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687   -5.7720    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8316   -5.4376   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103   -4.9899   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -0.2075    0.5070 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660    1.0954    0.5565 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348    1.2995    0.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1026    2.5956    0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    3.6916    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1126    4.9582    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8928    5.0795    0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    4.0119    1.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782    4.5320    2.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0614    5.8176    1.8445 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0267    6.1303    1.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    7.4821    0.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376    2.7584    1.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1965   -0.9699   -0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2682    0.7108   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    0.3047    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0763   -2.3595    0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5286   -5.0176    0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699   -5.1193    2.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0039   -5.9140    2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3987   -6.1117    0.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469   -5.5160   -1.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1141   -4.7164   -1.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    3.5627   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    5.7977   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247    4.0166    2.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553    8.0282    0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4177    7.4542   -0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845    7.9546    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173    1.9489    2.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 356👍, 0💬