Molecule FYI-1002213

A

Molecule Summary:

ID: FYI-1002213
Names:
InChIKey: FZXNPSJGQBJFIR-UHFFFAOYSA-N
SMILES: CNC(=O)c2ccc(NC(=O)c1ccc(C#N)cc1F)cc2Cl

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002213 Edit

Molecule Structure InChIKey: FZXNPSJGQBJFIR-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c2ccc(NC(=O)c1ccc(C#N)cc1F)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002213
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2125   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 F   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
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  3  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002213-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.9652   -0.0304   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999   -0.1073   -0.2716 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.7774   -1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5879    1.6927   -1.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6007    0.6377   -1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3215    1.8263   -1.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179    1.8354   -1.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4301    0.6548   -0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8354    0.5995   -0.9164 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6916    1.6773   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    2.8498   -0.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1513    1.3802   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375    2.4549   -0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4132    2.2332   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9185    0.9317   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250    0.6976   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4621    0.5021   -0.1893 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0471   -0.1420   -0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6764    0.0893   -0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8753   -0.9724   -0.9445 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7190   -0.5424   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.5559   -0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -2.1054   -0.7005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.8166    0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374   -0.1662   -1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780    0.9504    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717   -0.8872    0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975    2.7680   -1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2183    2.7849   -1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2450   -0.3289   -0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6586    3.4755   -0.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0786    3.0820   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4183   -1.1626   -0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545   -1.4783   -0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  2  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  3  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 354👍, 0💬