4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮结构式

4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮
中文名称:4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮
英文名称:4-Acetyl-11,11a-dihydro-2-phenyl-2H-[1,2,4]triazino[4,5-b]isoquinolin-1(6H)-one
CAS No.:139456-31-8
分子式:C19H17N3O2 分子量:319.36
4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮 数据
Mol:
0  0  0  0  0  0  0  0  0
    2.8630   -3.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535   -3.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -1.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3119   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456   -1.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1713   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  6  2  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  4  3  1  0  0  0  0
  4 17  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14  4  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19 13  1  0  0  0  0
 19 24  1  0  0  0  0
 20 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
M  END                                
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4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮 Smile 编码:
CC(C1N2C(CC3C(=CC=CC=3)C2)C(N(C2=CC=CC=C2)N=1)=O)=O
4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮 InChi 编码:
1S/C19H17N3O2/c1-13(23)18-20-22(16-9-3-2-4-10-16)19(24)17-11-14-7-5-6-8-15(14)12-21(17)18/h2-10,17H,11-12H2,1H3
4-乙酰基-11,11a-二氢-2-苯基-2H-[1,2,4]三嗪[4,5-b]异喹啉-1(6H)-酮 InChiKey 编码:
OCGGZVIRWIBQGA-UHFFFAOYSA-N