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

Systemtic Name: 4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methyl-phthalazin-1-one Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CC=C5)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4[C@H]3C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C27H25N3O4/c1-29-26(31)20-12-8-7-11-19(20)24(28-29)27(32)30-14-13-18-15-22(33-2)23(34-3)16-21(18)25(30)17-9-5-4-6-10-17/h4-12,15-16,25H,13-14H2,1-3H3/t25-/m1/s1