Molecule FYI-1001075

Home > Molecule

A

Molecule Summary:

ID: FYI-1001075
SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

Received at FYIcenter.com on: 2021-11-26

Molecule ID: FYI-1001075 Edit

Molecule Structure SMILES String: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001075
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.4077    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  3  0  0  0  0
  9  3  1  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 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  3  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001075-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.3493    0.6282   -1.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7366    0.5484   -1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2993   -0.0415    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4302   -0.5648    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446   -0.4927    0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002    0.1139   -0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220    0.2145   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713    0.3079   -0.4754 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -0.0958    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.6071    1.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4825   -0.0759    2.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0351    0.5578    3.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    1.8904    3.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2443    2.6030    2.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6912    1.9672    1.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.5109    4.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6113    3.0020    5.8008 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.4534    0.1305 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365   -1.7649   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8038   -3.0667   -0.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130   -3.5220    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7195   -2.5767    0.4983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642    1.0956   -2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    0.9528   -1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8245   -1.0561    1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016   -0.9149    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566    0.4339   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855   -1.1205    2.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1627   -0.0058    4.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    3.6484    2.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    2.5438    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673   -1.0279   -0.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919   -4.5718    0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 2831👍, 0💬