Molecule FYI-1008556

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A

Molecule Summary:

ID: FYI-1008556
Names:
InChIKey: JRXBUUNKBHXHHE-UHFFFAOYSA-N
SMILES: CCN(C)C(=O)Nc1cc(C)cc(C)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008556 Edit

Molecule Structure InChIKey: JRXBUUNKBHXHHE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(C)C(=O)Nc1cc(C)cc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008556
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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    2.1000    0.0000 N   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  1  0  0  0  0
  5  3  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  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008556-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
   -1.5142   -1.8680   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0906   -0.1867    0.2167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935    0.3371    0.1765 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197   -1.0585   -0.0563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937    1.2347    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6128    0.1862    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    1.1965    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -0.6674    0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849    1.3345    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661   -1.1532   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -0.0677   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2427   -1.0776    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5506    1.9159   -0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    2.3995    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309   -2.5253   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3415    1.3154    0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662    1.7484    1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    1.3051    0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328    2.3149    0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7933   -1.0036    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9321   -2.1150    0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8884   -0.7795   -0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.2005   -0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6286    1.8583   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3488    1.4543   -1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8006    2.9726   -0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    2.8184   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2053    3.1700    0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238    2.1509    0.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -2.7672    0.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -3.2767   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6009   -2.5958   -1.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1417👍, 0💬