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

Systemtic Name: 4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3=NNC(=O)C4=CC=CC=C43)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3=NNC(=O)C4=CC=CC=C43)C5=CC=CS5)OC

InChI

InChI=1S/C25H23N3O4S/c1-31-20-12-15-9-10-28(24(22-8-5-11-33-22)18(15)13-21(20)32-2)23(29)14-19-16-6-3-4-7-17(16)25(30)27-26-19/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,27,30)