Molecule FYI-1003329

A

Molecule Summary:

ID: FYI-1003329
Names:
InChIKey: AFSMSPXAHDIYCQ-UHFFFAOYSA-N
SMILES: N#Cc3cc(c2ccc(c1ccc(O)c(C#N)c1)nc2)ccc3O

Received at FYIcenter.com on: 2023-06-01

Molecule ID: FYI-1003329 Edit

Molecule Structure InChIKey: AFSMSPXAHDIYCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cc(c2ccc(c1ccc(O)c(C#N)c1)nc2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003329
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   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  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  3  0  0  0  0
 12  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  1  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  3  0  0  0  0
 24 21  2  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003329-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.9882    0.0822    2.2817 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919    0.0339    1.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219    0.0462    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    1.2350    0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658    1.3166   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5678    2.6019   -0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822    3.5506    0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140    4.8138    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6545    5.1279   -1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    6.4994   -1.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437    7.3796   -0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686    8.7235   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5213    9.2082   -2.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840   10.5367   -2.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    8.3546   -3.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256    8.8346   -4.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3035    9.1909   -5.4059 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7739    7.0053   -2.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    4.2124   -2.0643 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0876    2.9927   -1.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2368    0.1458   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5109   -1.0439   -0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026   -1.0857   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771   -2.2359    0.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4116    2.1192    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3248    3.3410    1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2146    5.5528    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9210    7.0279    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2969    9.3728   -0.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9532   11.0097   -1.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3349    6.3439   -3.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0559    2.3300   -2.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015    0.1411   -1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256   -1.9220   -1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   -2.8946   -0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  3  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 2026👍, 0💬