Molecule FYI-1009164

Home > Molecule

A

Molecule Summary:

ID: FYI-1009164
Names:
InChIKey: FRVIPXKDFRMQST-UHFFFAOYSA-N
SMILES: O=C(CN1CCCC1)Nc3cc2ccccc2oc3=O

Received at FYIcenter.com on: 2024-05-03

Molecule ID: FYI-1009164 Edit

Molecule Structure InChIKey: FRVIPXKDFRMQST-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN1CCCC1)Nc3cc2ccccc2oc3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009164
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.8531    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.7077    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  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  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 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009164-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.3942   -0.5654   -0.9476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024   -0.2089   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131    1.1800   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    2.2316   -0.1049 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5413    3.5661   -0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624    4.0616    0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    3.5391    1.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    2.2647    1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827   -0.9985    0.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805   -2.3544    0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -3.1496   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735   -4.5652    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328   -5.3813   -0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589   -6.7522   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275   -7.3097    0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580   -6.4939    1.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -5.1253    1.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248   -4.3107    2.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -2.9285    2.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0479   -2.1972    2.8584 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1736    1.2557   -1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9959    1.2584   -0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638    4.2097   -0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003    3.5775   -1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599    5.1510    0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3683    3.6260    0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265    4.2666    2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2435    3.3545    2.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8509    2.2794    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3455    1.3915    1.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039   -0.5426    1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943   -2.7841   -0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139   -4.9577   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801   -7.3862   -1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741   -8.3812    0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1733   -6.9247    2.4117 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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1179👍, 0💬