54761-87-4
2-BENZOYL-1,2,3,6,7,11B-HEXAHYDRO-PYRAZINO[2,1-A]ISOQUINOLIN-4-ONE
Name2-BENZOYL-1,2,3,6,7,11B-HEXAHYDRO-PYRAZINO[2,1-A]ISOQUINOLIN-4-ONE
1Identification
【Name】
2-BENZOYL-1,2,3,6,7,11B-HEXAHYDRO-PYRAZINO[2,1-A]ISOQUINOLIN-4-ONE
【CAS】
【MDL】
MFCD00552738
【English Synonyms】
【Formula】
C19 H18 N2 O2
【MolWeight】
306.363
【Inchi】
InChI=1S/C19H18N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h1-9,17H,10-13H2
【InChIKey】
InChIKey=XEYCCEDRIDKXEV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)N2CC3c4ccccc4CCN3C(=O)C2
【MOL File】
2-BENZOYL-1,2,3,6,7,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZOYL-1,2,3,6,7,11B-HEXAHYDRO-PYRAZINO[2,1-A]ISOQUINOLIN-4-ONE.cml