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

Systemtic Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CC3=NNC(=O)C4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CC3=NNC(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C21H21N3O4/c1-27-18-9-13-7-8-24(12-14(13)10-19(18)28-2)20(25)11-17-15-5-3-4-6-16(15)21(26)23-22-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,23,26)