2,6-Di(1H-pyrazol-4-yl)naphthalene结构式

2,6-Di(1H-pyrazol-4-yl)naphthalene
英文名称:2,6-Di(1H-pyrazol-4-yl)naphthalene
CAS No.:2368840-52-0
分子式:C16H12N4 分子量:260.29328250885
2,6-Di(1H-pyrazol-4-yl)naphthalene 数据
Mol:
  0  0  0  0  0  0  0  0
    5.0653    0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974   -0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4615    1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3766    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0948   -2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    2.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  1 17  1  0
  2  4  1  0
  2 18  1  0
  3 19  2  0
  4 20  2  0
  5  6  1  0
  5  9  2  0
  5 11  1  0
  6 10  1  0
  6 12  2  0
  7  9  1  0
  7 13  2  0
  7 15  1  0
  8 10  2  0
  8 14  1  0
  8 16  1  0
 11 14  2  0
 12 13  1  0
 15 17  2  0
 15 19  1  0
 16 18  2  0
 16 20  1  0
M  END                                
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2,6-Di(1H-pyrazol-4-yl)naphthalene Smile 编码:
N1C=C(C=N1)C1=CC=C2C=C(C3C=NNC=3)C=CC2=C1
2,6-Di(1H-pyrazol-4-yl)naphthalene InChi 编码:
1S/C16H12N4/c1-3-13(15-7-17-18-8-15)6-12-2-4-14(5-11(1)12)16-9-19-20-10-16/h1-10H,(H,17,18)(H,19,20)
2,6-Di(1H-pyrazol-4-yl)naphthalene InChiKey 编码:
ZZGVBEOPXFTAGE-UHFFFAOYSA-N