Molecule FYI-1009097

A

Molecule Summary:

ID: FYI-1009097
Names:
InChIKey: WJPBOHMXJMFPKC-UHFFFAOYSA-N
SMILES: CCCCn1c(=O)c2ccc3c(=O)n(CCC)c(=O)c4ccc(c1=O)c2c34

Received at FYIcenter.com on: 2024-04-30

Molecule ID: FYI-1009097 Edit

Molecule Structure InChIKey: WJPBOHMXJMFPKC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCn1c(=O)c2ccc3c(=O)n(CCC)c(=O)c4ccc(c1=O)c2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009097
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   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 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  2  0  0  0  0
 27 11  1  0  0  0  0
 27 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009097-3D
FYIcenter.com

 47 50  0     0  0  0  0  0  0999 V2000
   -3.1643    2.2542    0.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0858   -2.4093    0.5134 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    2.3801   -0.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -2.2839   -0.4741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1831   -0.0777    0.5863 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771    0.0478   -0.4580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068   -0.0274    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -0.0024   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    1.1834    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653   -1.2622    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576    1.2324   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6954   -1.2132   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670    1.1828    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5293   -1.3147    0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6254   -0.0809    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218    1.2849   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -1.2126   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    2.4061    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535   -2.4604    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    2.4305   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -2.4359   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2205    0.0481   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4135    0.0217   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9265    0.0464   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0013    0.0153    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6836    0.2094   -1.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5082    0.0376    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9089   -0.9990    1.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886    0.7565    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592    3.3516    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512   -3.4243    0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    3.3945   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510   -3.3814   -0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962    0.9457   -1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4992   -0.8131   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1560   -0.8230   -1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1139    0.9288   -1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1871    0.8735    0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2426   -0.8818    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172    0.8723    1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348   -0.8831    1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4660   -0.6168   -2.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7622    0.2222   -1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4131    1.1471   -2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8324   -0.8287   -0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8143    0.9452   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0284    0.0128    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  2  0  0  0  0
  4 17  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  2  0  0  0  0
 11 16  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  2  0  0  0  0
 15 23  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 25  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 27  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1613👍, 0💬