Molecule FYI-1008582

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A

Molecule Summary:

ID: FYI-1008582
Names:
InChIKey: CGOCRZZBZBBSCN-UHFFFAOYSA-N
SMILES: C=CCNC(=O)c1cccnc1OCC

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

Molecule ID: FYI-1008582 Edit

Molecule Structure InChIKey: CGOCRZZBZBBSCN-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCNC(=O)c1cccnc1OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008582
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008582-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
    1.2809   -1.4211   -0.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714   -0.7843   -1.1511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234    1.0693   -0.1338 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    0.3502    0.3246 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3926    0.7881   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611   -0.0653    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340    0.2930   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    2.1559   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4009    0.7009   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217   -2.2358    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894    2.6220    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    1.6866    0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -3.6907    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -0.1122    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -1.3567    0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596    2.8895   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    1.9071    0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821    1.6247   -0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4753    0.1604   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081   -2.0117   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -2.0641    1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912    3.6840    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8996    1.9985    0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -3.9415    0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6299   -3.8919   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8814   -4.3477    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8715    0.3457    1.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7186   -1.8944    1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4185   -1.8583   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  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 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 180👍, 0💬