Molecule FYI-1005181

A

Molecule Summary:

ID: FYI-1005181
Names:
InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N
SMILES: Cc3c(C(=O)NN1CCCCC1)nn(c2ccc(Cl)cc2Cl)c3c4ccc(Cl)cc4

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005181 Edit

Molecule Structure InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(C(=O)NN1CCCCC1)nn(c2ccc(Cl)cc2Cl)c3c4ccc(Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005181
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    7.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557    9.5992    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9322    6.7487    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    1.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8856    4.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4933    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    2.6856    0.0000 Cl  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  5  2  0  0  0  0
  6  2  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 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24  3  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005181-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    1.3032    1.4364   -2.6032 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7197   -2.6160    0.0261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8866    5.1137    0.3505 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -2.3226    0.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8122   -0.2373    0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424   -0.0520    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    0.2627    0.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    0.3821    0.1035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5863    0.6648    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8825    0.1321   -1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9389    0.1050    1.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3717    0.3573   -1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4260    0.3305    1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6202   -1.1665    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778   -0.8793    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484   -1.8082    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -1.0287    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3765   -1.4137    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319   -3.2800    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360    1.4124    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.5671   -1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.6302    1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7438    2.0361   -1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    1.9188    1.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892   -1.9391   -1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892   -2.0021    1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    3.1833   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975    3.0659    1.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614   -2.1566    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    3.6981    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6491    0.4005   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5263    1.7600    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0892   -0.9405   -1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2857    0.6243   -2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3816    0.5781    2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1498   -0.9695    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9096   -0.1020   -2.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1569    1.4336   -1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2139    1.4054    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0037   -0.1487    2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0766    0.8952    0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561   -3.7507    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732   -3.6584    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543   -3.6131   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -1.4114   -2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -1.5139    2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    1.4371    2.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997   -2.0577   -2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002   -2.1681    2.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    3.6781   -1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7837    3.4557    2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 45  1  0  0  0  0
 22 26  2  0  0  0  0
 22 46  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 24 47  1  0  0  0  0
 25 29  2  0  0  0  0
 25 48  1  0  0  0  0
 26 29  1  0  0  0  0
 26 49  1  0  0  0  0
 27 30  2  0  0  0  0
 27 50  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 759👍, 0💬