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

Systemtic Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)OCC

InChI

InChI=1S/C24H27N3O4/c1-4-30-21-12-16-10-11-27(15-17(16)13-22(21)31-5-2)23(28)14-20-18-8-6-7-9-19(18)24(29)26(3)25-20/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3