Molecule FYI-1005841

A

Molecule Summary:

ID: FYI-1005841
Names:
InChIKey: AWSMTWQWINXMNQ-UHFFFAOYSA-N
SMILES: Cc1cc(Cl)cc(Cl)c1CNC(=O)C2CNC(=O)N2C

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005841 Edit

Molecule Structure InChIKey: AWSMTWQWINXMNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(Cl)cc(Cl)c1CNC(=O)C2CNC(=O)N2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005841
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    0.8624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.0624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  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  2  0  0  0  0
 19 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005841-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
   -1.3900    2.3498    0.7286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1870    0.8092   -1.1601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0050   -0.0670    1.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8264    0.4924    0.1507 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562    0.7536   -0.4437 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4758   -1.3047   -0.5116 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2554   -0.4902    0.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592   -0.1386   -0.7674 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1403   -1.4761   -1.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5697   -0.2162    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    0.0431   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3887    2.1860   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974   -0.6385    1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400   -0.2638    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -1.2705    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4845    1.0748    0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980   -0.9384   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -2.7120    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7360    1.4069   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6427    0.4002   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231    0.2350   -1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659   -2.3332   -0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2323   -1.6723   -2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673   -2.0456   -0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    2.5839   -1.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    2.6592   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010    2.3943    0.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258   -0.6687   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -0.0271    1.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7416   -1.6666    1.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0078   -1.7210   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7824   -2.9705   -0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016   -2.9487    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -3.3667   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066    2.4504   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 2654👍, 0💬