Molecule FYI-1007732

A

Molecule Summary:

ID: FYI-1007732
Names:
InChIKey: SRDQCZABAVQFEL-UHFFFAOYSA-N
SMILES: COc1ccc(Cl)cc1C(=O)N(C)CCC(=O)N(C)C

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

Molecule ID: FYI-1007732 Edit

Molecule Structure InChIKey: SRDQCZABAVQFEL-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007732
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   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    2.1000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    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  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  6  2  0  0  0  0
 18  1  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007732-3D
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
    1.2891    0.7692   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    0.3933   -0.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -0.7154   -1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841   -1.0761   -2.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916   -2.1486   -3.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -2.8654   -2.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740   -4.1538   -3.4195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7498   -2.5290   -1.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -1.4586   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7092   -1.2091    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9371   -1.3245    0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9424   -0.9784    1.9068 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416   -0.6042    1.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6458   -0.9205    3.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2716    0.4405    3.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105    0.5100    4.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510   -0.4442    5.6644 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5349    1.7095    5.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    2.8751    4.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1749    1.8403    6.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493    1.4325   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278   -0.0988   -1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575    1.3233   -2.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -0.5106   -3.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -2.3964   -4.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433   -3.0928   -0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9867   -1.1450    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753    0.4770    1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922   -0.8406    2.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4242   -1.6936    3.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361   -1.2009    3.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4977    1.2137    3.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    0.6505    2.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1356    2.7450    3.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6969    3.0782    4.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    3.7303    4.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0665    0.9486    7.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7289    2.6920    7.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2435    2.0391    6.3799 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 14  1  0  0  0  0
 13 27  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 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  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 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

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2024-03-23, 941👍, 0💬