Molecule FYI-1009731

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A

Molecule Summary:

ID: FYI-1009731
Names:
InChIKey: NVKQKVACFQLUNH-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2=CCC(N)C=c12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009731 Edit

Molecule Structure InChIKey: NVKQKVACFQLUNH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc1c[nH]c2=CCC(N)C=c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009731
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.7676    5.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    2.0923    0.0000 C   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
    7.3412    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0105    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   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
    2.4249    0.0000    0.0000 N   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009731-3D
FYIcenter.com

 33 34  0  0  1  0  0  0  0  0999 V2000
    0.8791    2.0514    2.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633    2.1419    2.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554    2.7203    3.8299 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    1.5240    1.8825 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5484    1.5267    1.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305    0.3446    2.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    0.3600    2.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4734    1.4131    2.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7872    1.0120    2.7358 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8827   -0.3474    2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -1.1732    2.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7402   -2.6649    2.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2648   -3.1756    2.9728 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0541   -3.9440    4.2050 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948   -2.1187    2.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4988   -0.8173    2.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    2.5874    3.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    1.0043    2.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6158    2.5081    1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243    1.0367    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801    2.4796    2.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    1.4899    0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806   -0.5805    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7339    0.3350    3.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2399    2.4664    2.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5763    1.6323    2.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9385   -0.7811    2.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3389   -3.0491    3.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1901   -3.0945    1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0976   -3.8656    2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076   -3.3200    4.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7694   -4.6650    4.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1628   -2.4517    2.9248 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
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-22, 219👍, 0💬