Molecule FYI-1015323

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A

Molecule Summary:

ID: FYI-1015323
Names:
InChIKey: BCXYCDKDXMEOGW-UHFFFAOYSA-N
SMILES: CC(C)CCn2c(=O)cc(O)c1cccn12

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015323 Edit

Molecule Structure InChIKey: BCXYCDKDXMEOGW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCn2c(=O)cc(O)c1cccn12

Download SDF Download SVG Structure in 2D SDF:

FYI-1015323
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  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
 16 12  1  0  0  0  0
 16  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015323-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    3.9794   -0.8683   -0.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661   -2.7282    0.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431   -0.4127    0.4062 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435    0.6496    0.2815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3007    0.2807   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7919    0.4755   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347   -0.2046    0.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622    0.5093   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4561   -0.8175    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5342    1.0169   -1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182   -1.7072    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5348    1.9660    0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6529   -0.7881   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479   -1.8485   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    1.7815   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    2.6956    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9039    1.2258   -0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.4372   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    1.2194    0.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751    0.4930    1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268   -1.1542    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3206   -1.6247   -0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464   -1.1480    1.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5320   -0.6706    0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4924    0.3096   -2.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0957    1.9633   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5877    1.2032   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    2.3027    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2085   -2.8529   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312    2.0268   -0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7712    3.7695    0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -1.8049   -0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 32  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$

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2025-08-18, 1133👍, 0💬