170658-20-5
2-(3,4-DIHYDRO-3,3-DIMETHYL-1(2H)-ISOQUINOLINYLIDENE)-N-(2,4,6-TRIMETH YLPHENYL)ACETAMIDE
Name2-(3,4-DIHYDRO-3,3-DIMETHYL-1(2H)-ISOQUINOLINYLIDENE)-N-(2,4,6-TRIMETH YLPHENYL)ACETAMIDE
FormulaC22 H26 N2 O . Cl H
1Identification
【Name】
2-(3,4-DIHYDRO-3,3-DIMETHYL-1(2H)-ISOQUINOLINYLIDENE)-N-(2,4,6-TRIMETH YLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03869238
【English Synonyms】
【Formula】
C22 H26 N2 O . Cl H
【MolWeight】
370.921
【Inchi】
InChI=1S/C22H26N2O.ClH/c1-14-10-15(2)21(16(3)11-14)23-20(25)12-19-18-9-7-6-8-17(18)13-22(4,5)24-19;/h6-12,24H,13H2,1-5H3,(H,23,25);1H/b19-12+;
【InChIKey】
InChIKey=KJXSYKMELLNZOS-NNTHFVATSA-N
【SMILES】
Cc1cc(c(c(c1)C)NC(=O)/C=C/2\c3ccccc3CC(N2)(C)C)C.Cl
【MOL File】
2-(3,4-DIHYDRO-3,3-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3,4-DIHYDRO-3,3-DIMETHYL-1(2H)-ISOQUINOLINYLIDENE)-N-(2,4,6-TRIMETH YLPHENYL)ACETAMIDE.cml