Molecule FYI-1007747

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A

Molecule Summary:

ID: FYI-1007747
Names:
InChIKey: ANUFBNCYIGKISR-UHFFFAOYSA-N
SMILES: CN(C)C(=O)CCNC(=O)c1cccc2cccnc12

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007747 Edit

Molecule Structure InChIKey: ANUFBNCYIGKISR-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)CCNC(=O)c1cccc2cccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007747
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  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  9  2  0  0  0  0
 11  9  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
 16 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 13 20  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007747-3D
FYIcenter.com

 37 38  0     0  0  0  0  0  0999 V2000
   -2.5073    0.3407   -1.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936   -2.5986    1.2092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385   -1.5998   -0.7120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0399    0.7533    0.1949 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468    0.9862    0.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278   -2.2365   -0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -1.4260    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7007   -1.0809    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7023    0.3112    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9386    0.9749   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1057   -0.0364   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307   -1.8372    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805   -1.8131   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255    0.2387   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947   -1.1529   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408    2.3762   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7376    0.2869    1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3873    2.1009   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518    3.0744    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923    2.3380    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -2.3540   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309   -3.2355   -0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -1.3141    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991   -1.9809    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -0.9455   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619   -2.9000   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813    0.7457   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -1.7183   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8697    2.9315   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8144    0.3338    1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933    0.9643    2.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925   -0.7274    1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1533    2.8036    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258    2.3824   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4573    2.1365   -0.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351    4.1578    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    2.8287    0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

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2024-03-23, 154👍, 0💬