Molecule FYI-1014470

A

Molecule Summary:

ID: FYI-1014470
Names:
InChIKey: PFWDVAKBCVSOCV-UHFFFAOYSA-N
SMILES: O=c1ccc(=O)c4c1ccc3[nH]c(N2CCNCC2)nc34

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014470 Edit

Molecule Structure InChIKey: PFWDVAKBCVSOCV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1ccc(=O)c4c1ccc3[nH]c(N2CCNCC2)nc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014470
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    9.3531    6.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    8.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531    6.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
    4.9163    2.2306    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 21 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014470-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.9892   -0.1861   -0.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -0.1497   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748   -1.3910   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577   -1.3867    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9664   -0.1494    0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980   -0.2417    1.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2537    1.1282    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993    1.1250    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    2.3166   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101    3.5524    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564    3.5310    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0405    4.5530    0.6145 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2622    4.0288    0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    4.8963    1.1959 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3533    4.5051    2.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9016    5.7937    2.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    6.8570    1.8138 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2081    7.1296    0.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718    5.8630    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966    2.7221    1.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    2.3746    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536   -2.3005   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357   -2.3043    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    2.2848   -0.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    4.4801   -0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    5.5377    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1538    4.0094    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114    3.8159    2.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7597    5.5423    3.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306    6.2064    3.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1064    6.5042    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534    7.8429    0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3881    7.6164    1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    5.4216   -0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8431    6.1446   -0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

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2025-04-26, 663👍, 0💬