Molecule FYI-1009346

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A

Molecule Summary:

ID: FYI-1009346
Names:
InChIKey: AEBCONYEEXDORN-UHFFFAOYSA-N
SMILES: NCC2C=CC(N1CCC(CO)CC1)=NC2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009346 Edit

Molecule Structure InChIKey: AEBCONYEEXDORN-UHFFFAOYSA-N

Molecule Structure SMILES String: NCC2C=CC(N1CCC(CO)CC1)=NC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009346
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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  4  2  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
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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 12  1  0  0  0  0
 16 15  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009346-3D
FYIcenter.com

 37 38  0     1  0  0  0  0  0999 V2000
    5.2245    1.2113   -0.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254   -0.7325   -0.4172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    0.4234   -1.1052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    2.2337    0.7364 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -0.0979    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    0.6408   -0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2691   -0.6305    1.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051   -0.2301   -1.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1744   -1.4799    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2981    0.8112    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8190   -0.5949   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283   -0.0350    0.0168 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7969    0.4940   -1.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6540   -1.6436    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -1.3398    0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105    0.9700    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7780   -0.9487   -0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    0.9475   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0519    1.5565   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8064    0.2124    1.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018   -1.2272    2.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8534   -1.0827   -1.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8645    0.3495   -2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998   -2.4054    0.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885   -1.7625    1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.2791    1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361    1.7048    1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5718   -0.2203   -0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0910   -0.0977   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0796    1.5242   -1.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374   -2.6038    0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5580   -2.0580    0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0844    0.5835    2.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    1.1476    1.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8785    1.7859    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0497    2.0928    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164    2.8792    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 35  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1373👍, 0💬