Molecule FYI-1007741

A

Molecule Summary:

ID: FYI-1007741
Names:
InChIKey: SILIVVRDENVCAR-UHFFFAOYSA-N
SMILES: COc1ccc(Cl)cc1C(=O)NCC(N)C(=O)N(C)C

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007741 Edit

Molecule Structure InChIKey: SILIVVRDENVCAR-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc(Cl)cc1C(=O)NCC(N)C(=O)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007741
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007741-3D
FYIcenter.com

 38 38  0  0  1  0  0  0  0  0999 V2000
    1.0449    0.0306    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    0.0741    0.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719    1.2566    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    2.1614    1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    3.3538    1.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002    3.6474    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3597    5.1222    0.8169 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8772    2.7547   -0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1740    1.5487   -0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6459    0.6884   -1.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5453    1.0844   -2.4424 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -0.5119   -1.9162 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -1.4102   -3.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5885   -1.0731   -4.3331 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9216    0.2896   -4.8255 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277   -2.1297   -5.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7294   -3.0372   -5.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2909   -2.0506   -6.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464   -1.0139   -7.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895   -2.9664   -7.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6035   -0.8974    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700    0.8670    0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834    0.0046    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020    1.9637    1.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1357    4.0465    2.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198    3.0002   -1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760   -0.7846   -1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -2.4214   -2.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4262   -1.3824   -3.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5117   -1.1261   -4.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348    0.3150   -4.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    0.9294   -4.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581   -0.4413   -6.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4951   -1.4889   -7.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420   -0.3390   -7.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910   -3.7288   -7.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656   -2.3921   -8.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -3.4631   -8.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 26  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  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2024-03-23, 572👍, 0💬