1(2H)-Isoquinolinone, 2-[2-(dimethylamino)ethyl]-4-(phenylmethyl)-结构式

英文名称：1(2H)-Isoquinolinone, 2-[2-(dimethylamino)ethyl]-4-(phenylmethyl)-

CAS No.：88561-23-3
分子式：C₂₀H₂₂N₂O 分子量：306.40148

1(2H)-Isoquinolinone, 2-[2-(dimethylamino)ethyl]-4-(phenylmethyl)- 数据

Mol:

6    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    9.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
  6 22  2  0  0  0  0
  2 23  1  0  0  0  0
M  END

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1(2H)-Isoquinolinone, 2-[2-(dimethylamino)ethyl]-4-(phenylmethyl)- Smile 编码:

CN(C)CCN1C=C(CC2C=CC=CC=2)C2C(=CC=CC=2)C1=O

1(2H)-Isoquinolinone, 2-[2-(dimethylamino)ethyl]-4-(phenylmethyl)- InChi 编码:

InChI=1S/C20H22N2O/c1-21(2)12-13-22-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)20(22)23/h3-11,15H,12-14H2,1-2H3

1(2H)-Isoquinolinone, 2-[2-(dimethylamino)ethyl]-4-(phenylmethyl)- InChiKey 编码:

NWLSESGVDFMAEB-UHFFFAOYSA-N

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