Molecule FYI-1003510

A

Molecule Summary:

ID: FYI-1003510
Names:
InChIKey: LVMCSEZXFGMFRA-UHFFFAOYSA-N
SMILES: O=C(NC3CCN(C(=O)c1cncc2[nH]ccc12)C3)c4ccccc4

Received at FYIcenter.com on: 2023-06-23

Molecule ID: FYI-1003510 Edit

Molecule Structure InChIKey: LVMCSEZXFGMFRA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC3CCN(C(=O)c1cncc2[nH]ccc12)C3)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003510
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781    4.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8035    3.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8566    4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    4.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2352    5.1064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5606    4.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058    5.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2131    6.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8758    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932    5.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1877    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4172    2.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442    0.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4418    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2123    2.0692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852    3.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0329    2.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8045    0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0475    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  2  0  0  0  0
 14 15  1  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003510-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    4.6214    1.9223    1.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0143    1.0813    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    0.5677    0.9682 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1880    1.0518    2.2106 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9509    0.2476    2.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1809    0.9429    1.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    2.3430    1.8152 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976    3.4713    1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489    4.6014    1.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0199    3.3380    1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    2.3894    0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131    2.2136   -0.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6688    3.0568    0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3219    4.0733    1.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0991    5.0713    1.7820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433    5.8642    2.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559    5.3757    2.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161    4.2386    1.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    2.4879    2.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.5850   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9862    0.6615   -0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5740    0.3343   -2.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -0.0678   -3.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913   -0.1654   -2.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7975    0.1576   -1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766   -0.3017    0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581    0.9944    2.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7851    0.3406    3.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   -0.8171    2.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2205    0.5707    0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360    1.7188   -0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6712    2.9089   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0809    5.2077    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7802    6.7120    3.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2179    5.8009    3.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7559    3.0404    3.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940    3.0666    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6113    1.0028   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6510    0.4189   -2.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2306   -0.2883   -4.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734   -0.4639   -3.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    0.1244   -1.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-05, 2285👍, 0💬