Molecule FYI-1003106

A

Molecule Summary:

ID: FYI-1003106
Names:
InChIKey: NPMROZQVSKFZIS-UHFFFAOYSA-N
SMILES: Cn4cc(c3ccc(Cc1n[nH]c2ccc(C=O)cc12)cc3)cn4

Received at FYIcenter.com on: 2023-05-12

Molecule ID: FYI-1003106 Edit

Molecule Structure InChIKey: NPMROZQVSKFZIS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn4cc(c3ccc(Cc1n[nH]c2ccc(C=O)cc12)cc3)cn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003106
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.8861    2.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4938    2.2337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5570    3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    3.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.3741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5736    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8799    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    3.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4244    1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7938    1.0213    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 22  5  1  0  0  0  0
 23  4  1  0  0  0  0
 24 23  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003106-3D
FYIcenter.com

 40 43  0     0  0  0  0  0  0999 V2000
   -4.5855   -3.4257   -0.2979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1268    2.3856   -0.3011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0526    2.5958    0.6550 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0849   -0.1280    1.0064 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1977   -1.3180    0.3921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    0.7173   -1.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1143    1.1221   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063    0.4689   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451    0.4328   -1.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6853    1.4160    0.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321   -0.0890   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6611   -0.8833   -1.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224    1.4879   -1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4723   -0.8585   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546   -1.1440   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    1.2271   -0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639   -0.3580   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436    1.0352    1.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5324   -1.2115    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1396   -0.3106    1.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    0.4879    0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0212   -1.4531   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0776    2.0725   -0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2165    1.7003    2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8464   -2.3459   -0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9135    1.3513    2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
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  4 24  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
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 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  2  0  0  0  0
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 19 23  1  0  0  0  0
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 23 37  1  0  0  0  0
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 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1287👍, 0💬