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

Systemtic Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2H-isoquinolin-1-one Openeye Name: 3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2H-isoquinolin-1-one Traditional Name: 3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)isocarbostyril Formula: C27H24N2O4 MolecularWeight: 440.49046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=CC=CC=C4C(=O)N3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=CC=CC=C4C(=O)N3)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H24N2O4/c1-32-23-15-19-12-13-29(25(17-8-4-3-5-9-17)21(19)16-24(23)33-2)27(31)22-14-18-10-6-7-11-20(18)26(30)28-22/h3-11,14-16,25H,12-13H2,1-2H3,(H,28,30)