Molecule FYI-1002341

Home > Molecule

A

Molecule Summary:

ID: FYI-1002341
Names:
InChIKey: NGZIUPJBTKGJRG-UHFFFAOYSA-N
SMILES: CCCCCN2CC(O)C(O)CC1N=C(NCCCC)N=C12

Received at FYIcenter.com on: 2023-03-01

Molecule ID: FYI-1002341 Edit

Molecule Structure InChIKey: NGZIUPJBTKGJRG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCN2CC(O)C(O)CC1N=C(NCCCC)N=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002341
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0580    9.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0103    8.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    7.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5498    6.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    4.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894    3.6866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273    4.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    4.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6887    1.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9919    1.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6623    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  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
 21 20  1  0  0  0  0
 22 16  2  0  0  0  0
 22 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002341-3D
FYIcenter.com

 52 53  0  0  1  0  0  0  0  0999 V2000
    5.1268    0.1576   -2.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931    0.4339   -0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1037   -0.7056    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6856   -0.4579    1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143   -1.6322    2.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5939   -1.8052    2.4311 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789   -1.0132    3.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8414   -1.9199    4.6228 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8570   -2.8626    5.0843 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2134   -2.5578    4.2483 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4406   -3.7919    4.9267 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300   -2.7035    2.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -3.4942    1.9540 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5015   -4.9121    2.4054 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789   -5.1515    2.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668   -6.2520    3.4117 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194   -6.7847    3.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3821   -7.9915    4.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937   -7.6335    5.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4565   -8.8578    6.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3828   -4.1248    2.5908 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0734   -3.0976    2.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    0.9824   -2.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6676   -0.7612   -2.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2144    0.0486   -2.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060    0.5662   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479    1.3713   -0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1918   -0.8299    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6604   -1.6453   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943   -0.3362    1.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299    0.4737    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023   -2.5339    2.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7622   -1.4718    3.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5735   -0.3064    3.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0676   -0.3959    3.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0262   -1.2938    5.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782   -3.2308    4.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9793   -1.8757    4.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0507   -4.4947    4.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5068   -3.1930    2.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382   -1.7068    2.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6936   -3.4338    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5915   -6.9388    3.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3278   -7.1154    2.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -6.0217    3.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1096   -8.7606    3.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3868   -8.4380    4.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8668   -6.8740    6.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5927   -7.2050    5.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466   -9.2764    6.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6552   -8.5921    7.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669   -9.6392    6.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 1767👍, 0💬