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

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)OC

InChI

InChI=1S/C24H23N3O3S/c1-29-20-12-16-9-10-26(14-17(16)13-21(20)30-2)15-27-24(28)19-7-4-3-6-18(19)23(25-27)22-8-5-11-31-22/h3-8,11-13H,9-10,14-15H2,1-2H3