BAY-1316957结构式

BAY-1316957
中文名称:BAY-1316957
英文名称:BAY-1316957
CAS No.:1613264-40-6
分子式:C27H27N3O3 分子量:441.5216
BAY-1316957 数据
Mol:
 0  0  0  0  0  0  0  0  0
   10.0855   -1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444    1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -2.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057    4.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5063   -2.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2896   -2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5439   -3.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312   -0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2395   -2.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -4.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 33  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 17 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 27  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 22 31  1  0  0  0  0
 23 28  2  0  0  0  0
 23 30  1  0  0  0  0
 25 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
M  END                                
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BAY-1316957 Smile 编码:
O(C)CCN1C2C=CC(C(=O)O)=C(C)C=2N=C1C1C=CC2=C(C=1)C1C=C(C)C=CC=1N2CC
BAY-1316957 InChi 编码:
1S/C27H27N3O3/c1-5-29-22-9-6-16(2)14-20(22)21-15-18(7-10-23(21)29)26-28-25-17(3)19(27(31)32)8-11-24(25)30(26)12-13-33-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,31,32)
BAY-1316957 InChiKey 编码:
FHXIZAPGGULPIK-UHFFFAOYSA-N
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