Molecule FYI-1006580

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A

Molecule Summary:

ID: FYI-1006580
Names:
InChIKey: XXUGCAZZISLGRG-UHFFFAOYSA-N
SMILES: CCN(CC)CCCC(C)Nc1cc(Cl)cc2cnccc12

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006580 Edit

Molecule Structure InChIKey: XXUGCAZZISLGRG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCCC(C)Nc1cc(Cl)cc2cnccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006580
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006580-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    4.8006   -1.9868   -3.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3846   -0.6521   -3.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.5320   -3.8795 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1534    0.4558   -5.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6321    0.4593   -5.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    1.7769   -3.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916    2.0346   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283    2.1532   -1.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0215    3.3080   -2.7967 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5656    4.6688   -2.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4940    3.3163   -2.8931 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1241    3.7854   -4.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3866    4.3329   -5.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9991    4.7535   -6.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0296    5.3209   -7.6172 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3771    4.7053   -6.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1583    4.2512   -5.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5483    4.2429   -5.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3853    3.8381   -4.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8066    3.4146   -3.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4310    3.3683   -3.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5532    3.7831   -4.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699   -2.7641   -2.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230   -1.9465   -4.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   -2.2953   -4.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9367   -0.5831   -2.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3201   -0.6878   -2.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509   -0.4345   -5.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    1.2933   -5.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -0.2339   -4.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    0.1548   -6.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.4608   -5.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    1.7804   -3.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881    2.6297   -3.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7267    1.2489   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.9464   -1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9498    1.2060   -2.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9088    2.2819   -0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5862    3.1227   -3.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960    4.8651   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    4.7319   -2.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    5.4854   -2.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9197    2.4412   -2.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3079    4.4264   -5.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8380    5.0417   -7.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0510    4.5955   -6.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4985    3.1059   -2.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0589    3.0336   -2.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2088👍, 0💬