Molecule FYI-1002442

Home > Molecule

A

Molecule Summary:

ID: FYI-1002442
Names:
InChIKey: SYUWFNHEYUYCHX-UHFFFAOYSA-N
SMILES: O=C(NCc1ccccc1)c2ccco2

Received at FYIcenter.com on: 2023-03-23

Molecule ID: FYI-1002442 Edit

Molecule Structure InChIKey: SYUWFNHEYUYCHX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc1ccccc1)c2ccco2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002442
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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 C   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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297    5.0229    0.0000 O   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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
 10  5  1  0  0  0  0
 11  2  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
 15 14  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002442-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    2.6597   -1.1295    0.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170    1.8978    0.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664   -0.2152    1.1062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    0.1521    1.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369    0.0036    0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    1.0756   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -1.2069    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    0.7084    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    0.1722   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4029    0.9370   -1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7455   -1.3456   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866   -0.2735   -1.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493    0.8040   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026   -0.2113   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757   -1.3685   -0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984    1.1811    2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.4937    2.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591   -1.1860    1.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572    2.0260   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634   -2.0503    1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6692    1.7719   -1.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777   -2.2883   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8847   -0.3815   -1.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5164    1.8484   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3549   -0.1122   -1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2223   -2.3903   -0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-05, 1276👍, 0💬