2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(2-thienyl)phthalazin-1-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(2-thienyl)phthalazin-1-one Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS/c26-22-19-9-4-3-8-18(19)21(20-10-5-13-27-20)23-25(22)15-24-12-11-16-6-1-2-7-17(16)14-24/h1-10,13H,11-12,14-15H2