Molecule FYI-1006481

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A

Molecule Summary:

ID: FYI-1006481
Names:
InChIKey: RSJBFHKLFKNJCV-UHFFFAOYSA-N
SMILES: NCCc2cc(CCN)c1CC(N)Cc1c2

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

Molecule ID: FYI-1006481 Edit

Molecule Structure InChIKey: RSJBFHKLFKNJCV-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc2cc(CCN)c1CC(N)Cc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006481
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8503    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8906    6.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3212    7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9289    7.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0212    9.0278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  2  7  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006481-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.8185    0.5736   -2.5883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    0.6235   -2.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    0.6218   -1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3816    0.6666   -1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1380   -0.5242   -1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5492   -0.5076   -1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3254   -1.8088   -1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   -2.3528    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807   -3.6075    0.1222 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1743    0.7403   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437    1.0421   -1.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    2.5920   -1.1957 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4938    3.1244   -0.0667 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    3.1457   -1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    1.9191   -1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377    1.9005   -1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525    0.6150   -3.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    1.3996   -2.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909    1.5236   -3.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470   -0.2404   -3.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -0.2679   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897    1.4821   -0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6156   -1.4790   -1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2609   -1.6676   -1.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579   -2.5552   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6928   -2.5246    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2096   -1.6219    0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8179   -4.3356   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5574   -3.9301    1.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1357    0.6396   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125    0.6113   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2283    2.9168   -2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0524    2.8305    0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4399    4.1428   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0997    3.7505   -2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500    3.7502   -0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4806    2.8305   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  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 16  2  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2024-01-10, 956👍, 0💬