Molecule FYI-1008613

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A

Molecule Summary:

ID: FYI-1008613
Names:
InChIKey: AEHHZIJRWQRQMN-UHFFFAOYSA-N
SMILES: C#CCCCC(=O)Nc1nccc(C)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008613 Edit

Molecule Structure InChIKey: AEHHZIJRWQRQMN-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCCCC(=O)Nc1nccc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008613
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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    2.8000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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  3  0  0  0  0
 15  6  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008613-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
    0.5831   -1.1311   -0.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715    0.9675   -0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478   -0.6786   -0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149    1.6636    0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485   -0.0445   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232    0.8719   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688    0.7274   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    0.0951   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468    0.6340   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674   -0.9600    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4565    0.0022    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6367   -0.1647    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450   -2.4033    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0170    1.3104    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5934   -0.8900    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131   -0.6959   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1078   -0.7124    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403    1.5203   -0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9425    1.5118    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5191    1.3796   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5031    1.3795    0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845    1.9673   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5110   -0.2420    0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4373   -2.6414   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9559   -3.0425   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4286   -2.6450    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7211    2.1356    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4419   -1.5334    0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  3  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 193👍, 0💬