Molecule FYI-1007555

A

Molecule Summary:

ID: FYI-1007555
Names:
InChIKey: ZEJIWWZDRATTQH-UHFFFAOYSA-N
SMILES: O=C(NCC2C=CN(C1C=CC=CC1)N2)C(=O)NC5C4CCC3C=CC=CC3C45

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007555 Edit

Molecule Structure InChIKey: ZEJIWWZDRATTQH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCC2C=CN(C1C=CC=CC1)N2)C(=O)NC5C4CCC3C=CC=CC3C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007555
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.1374    6.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    5.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3498    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    5.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7747    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9210    3.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2903    3.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9903    4.3788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0536    5.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3828    4.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2056    3.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5980    3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1674    4.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3445    5.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9250    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    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  1  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  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 29 19  1  0  0  0  0
 29 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007555-3D
FYIcenter.com

 57 61  0  0  1  0  0  0  0  0999 V2000
    1.5601   -0.3217   -0.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -0.0932   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3226    1.1451   -0.0952 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009    2.4167   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    3.4768   -0.9928 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8055    3.7417   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9764    3.6148   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8376    3.3143   -1.9532 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9340    2.7750   -2.7885 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8393    1.2612   -2.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4832    0.5378   -3.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    1.1631   -5.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3823    2.4707   -5.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518    3.3684   -4.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355    3.0961   -2.2519 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0696   -4.4103   -0.0355 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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