Molecule FYI-1012806

Home > Molecule

A

Molecule Summary:

ID: FYI-1012806
Names:
InChIKey: QPJKHSFVBDONPD-UHFFFAOYSA-N
SMILES: N#Cc2ccc(N1CCCOCC1)cn2

Received at FYIcenter.com on: 2024-10-22

Molecule ID: FYI-1012806 Edit

Molecule Structure InChIKey: QPJKHSFVBDONPD-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc2ccc(N1CCCOCC1)cn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012806
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.2729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    3.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1179    5.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    5.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7201    4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    5.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3071    6.8239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012806-3D
FYIcenter.com

 28 29  0     1  0  0  0  0  0999 V2000
    3.9560    0.9547    0.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   -0.2730   -0.4657 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3511   -1.1585   -0.1531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4306    0.1315    0.3961 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8696   -1.5222   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3815   -1.4082    0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980    0.7888   -1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7791   -0.2652    1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    1.5906   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1664   -0.1306   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    1.1168   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -1.2272   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053    1.2279    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643    0.0706    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2791    0.1041    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877   -2.2882   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4316   -1.8851    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7202   -2.3548    0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926   -1.3052   -0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512    1.4558   -1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6984    0.3549   -1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760   -0.1316    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7549   -0.5001    1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    2.5541   -0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339    1.8026    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328    2.0201    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6524   -2.2320   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548    2.1970    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  3  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-25, 1784👍, 0💬