Molecule FYI-1001740

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Molecule Summary:

ID: FYI-1001740
SMILES: C=1(C(=CC(=CC=1)Cl)Cl)(C(=O)CN2(C=CN=C2))

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001740 Edit

Molecule Structure SMILES String: C=1(C(=CC(=CC=1)Cl)Cl)(C(=O)CN2(C=CN=C2))

Download SDF Download SVG Structure in 2D SDF:

FYI-1001740
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.4905    4.4834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001740-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2002   -1.3889    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   -0.1496    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    0.4821    0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -0.1121   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -1.3332   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -1.9668   -0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8433    0.6611   -0.0442 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2475    0.6604    1.5652 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5278   -2.0846    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -1.4304   -0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769   -3.5997    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038   -4.1671   -1.3279 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -5.0920   -1.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   -5.3521   -3.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5604   -4.6224   -3.3157 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222   -3.9338   -2.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    1.4377    1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9699   -1.7927   -1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -2.9015   -1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977   -4.0259    0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -3.9230    0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957   -5.4881   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0538   -6.0310   -3.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466   -3.2641   -1.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 198👍, 0💬