Molecule FYI-1005834

A

Molecule Summary:

ID: FYI-1005834
Names:
InChIKey: PIAMJNAYGCNDEX-UHFFFAOYSA-N
SMILES: O=C(CNC(=O)Nc2ccc1cnccc1c2)NC3CCCC3

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005834 Edit

Molecule Structure InChIKey: PIAMJNAYGCNDEX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CNC(=O)Nc2ccc1cnccc1c2)NC3CCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005834
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6406    0.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.8835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    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
    2.0694    0.2911    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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  2  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
 23 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005834-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
   -2.8199   -0.6832   -1.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255    0.7078    1.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6859   -0.5212    0.1085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -1.4461    0.7548 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285   -1.0234    0.3908 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    0.8278   -0.4490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6284   -0.0891   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7223    1.4299   -0.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0546   -0.5010   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6738    1.8050    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5570    0.5792    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512   -0.7838   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928   -1.1642    1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2152   -0.4690    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2633   -0.3839    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6423   -0.4832   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427    0.8983    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926   -1.1129   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666    0.9805    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997    1.6221    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7927   -1.1864   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4895   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9894   -0.4928   -0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3209   -0.5040   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7549    1.9330   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1658    1.7314   -1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6708   -0.4894   -1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1241   -1.5011   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2642    2.6922   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1083    2.0336    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4635    0.2461    1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6142    0.8019    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0073   -0.5824    1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0273   -2.0701    1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6432   -0.3453    1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9714   -2.3943    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0282   -2.0197    0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -2.1792   -0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    1.6099    0.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.6881    0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7636   -2.2505   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1478    2.5494    0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9028   -1.0031   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 33  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 36  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 37  1  0  0  0  0
  6 22  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 763👍, 0💬