Molecule FYI-1005507

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A

Molecule Summary:

ID: FYI-1005507
Names:
InChIKey: FFGPTBGBLSHEPO-UHFFFAOYSA-N
SMILES: NC(=O)n3c1ccccc1ccc2ccccc23

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005507 Edit

Molecule Structure InChIKey: FFGPTBGBLSHEPO-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)n3c1ccccc1ccc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005507
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.6342    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2963    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2701    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6709    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1259    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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  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
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005507-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
    1.0649    2.9296   -0.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    0.8924   -0.2539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919    2.8293   -0.9143 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    0.1984    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113    0.1925    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118   -1.0876   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090   -1.0920   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693   -1.8018   -1.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -1.8031   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    0.8267    0.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272    0.8106    0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -1.6980   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -1.7062   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361    2.2626   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466    0.2018    1.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3173    0.1821    1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384   -1.0609    0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162   -1.0763    0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -2.4020   -2.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844   -2.4043   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430    1.8059    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093    1.7811    1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876   -2.6824   -0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810   -2.6897   -0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0472    0.7029    1.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0052    0.6743    1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713   -1.5494    1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5435   -1.5689    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478    3.8055   -1.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495    2.2987   -1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1316👍, 0💬