CMPD101结构式

CMPD101
中文名称:CMPD101
英文名称:CMPD101
CAS No.:865608-11-3
分子式:C24H21F3N6O 分子量:466.458354711533
CMPD101 数据
Mol:
1.5000  -10.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918  -13.1472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037  -14.6144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046  -15.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478  -16.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4775  -17.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207  -18.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342  -19.8397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046  -19.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613  -17.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899  -14.3607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5773  -14.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 26 33  1  0
 33 34  1  0
  5 10  1  0
 15 20  1  0
 33 23  1  0
 27 32  1  0
M  END                                
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CMPD101 Smile 编码:
O=C(C1C=C(NCC2N(C)C(C3C=CN=CC=3)=NN=2)C=CC=1)NCC1C(C(F)(F)F)=CC=CC=1
CMPD101 InChi 编码:
1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
CMPD101 InChiKey 编码:
WFOVEDJTASPCIR-UHFFFAOYSA-N