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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N3O4/c1-33-23-14-19-12-13-29(17-20(19)15-24(23)34-2)27(32)25-21-10-6-7-11-22(21)26(31)30(28-25)16-18-8-4-3-5-9-18/h3-11,14-15H,12-13,16-17H2,1-2H3