1,2-Benzenediamine,4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-,hydrochloride(1:3)结构式

中文名称:1,2-Benzenediamine,4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-,hydrochloride(1:3)
英文名称:4-(6-(4-Methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)benzene-1,2-diamine trihydrochloride
CAS No.:1431697-77-6
分子式:C18H25Cl3N6 分子量:431.7903
1,2-Benzenediamine,4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-,hydrochloride(1:3) 数据
Mol:
 7.2629    9.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2629    9.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7629    8.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7629   10.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7629    8.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7629   10.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629    9.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.8750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    7.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4750    7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  2  0  0  0  0
  5 22  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END                                
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1,2-Benzenediamine,4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-,hydrochloride(1:3) Smile 编码:
N1(C2C=CC3=C(C=2)NC(C2C=CC(=C(C=2)N)N)=N3)CCN(C)CC1.Cl.Cl.Cl
1,2-Benzenediamine,4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-,hydrochloride(1:3) InChi 编码:
1S/C18H22N6.3ClH/c1-23-6-8-24(9-7-23)13-3-5-16-17(11-13)22-18(21-16)12-2-4-14(19)15(20)10-12;;;/h2-5,10-11H,6-9,19-20H2,1H3,(H,21,22);3*1H
1,2-Benzenediamine,4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-,hydrochloride(1:3) InChiKey 编码:
URIONEIMXRTDNB-UHFFFAOYSA-N