Molecule FYI-1006493

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A

Molecule Summary:

ID: FYI-1006493
Names:
InChIKey: LXGSIIROBBPXOV-UHFFFAOYSA-N
SMILES: CCN(CC(=O)Nc1c(C)cccc1C)N=O

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006493 Edit

Molecule Structure InChIKey: LXGSIIROBBPXOV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC(=O)Nc1c(C)cccc1C)N=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006493
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    4.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389    5.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    6.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326    5.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    7.5261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    8.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332    9.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    7.2437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928    7.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006493-3D
FYIcenter.com

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.9220   -1.1275    3.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -1.6869    4.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0779   -2.7430    3.2287 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -2.2879    1.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -1.6050    1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -0.3805    1.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063   -2.5045    1.4318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7303   -2.0937    1.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0202   -1.2382    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119   -0.8105   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3410   -0.7942   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3679   -1.2271    0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0940   -2.1356    1.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7863   -2.5928    1.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551   -3.5622    3.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7242   -3.8736    3.3961 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593   -4.8198    2.9592 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618   -0.4523    4.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0162   -0.5498    3.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6799   -1.9178    3.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7947   -0.8542    4.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369   -2.0764    5.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -3.1204    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928   -1.6019    1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963   -3.3610    1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -1.3662   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018    0.2589   -0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094   -1.0041   -1.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5738   -0.1127   -0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3818   -0.8681    0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9142   -2.4767    2.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878   -3.8132    3.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779   -3.1261    3.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282   -4.4952    2.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

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