1228095-61-1
4-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD16883046
【English Synonyms】
【Formula】
C26 H31 N3 O3
【MolWeight】
433.549
【Inchi】
InChI=1S/C26H31N3O3/c1-26(2,3)32-25(31)28-15-13-27(14-16-28)18-21-19-29(17-20-9-5-4-6-10-20)24(30)23-12-8-7-11-22(21)23/h4-12,19H,13-18H2,1-3H3
【InChIKey】
InChIKey=MXWFWSGVWHIPFX-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)Cc2cn(c(=O)c3c2cccc3)Cc4ccccc4
【MOL File】
4-(2-BENZYL-1-OXO-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml