2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-phthalazin-1-one Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H25N3O3/c1-31-23-14-19-12-13-28(16-20(19)15-24(23)32-2)17-29-26(30)22-11-7-6-10-21(22)25(27-29)18-8-4-3-5-9-18/h3-11,14-15H,12-13,16-17H2,1-2H3