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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C23H19N3O2S/c27-21(25-12-11-16-6-1-2-7-17(16)14-25)15-26-23(28)19-9-4-3-8-18(19)22(24-26)20-10-5-13-29-20/h1-10,13H,11-12,14-15H2