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

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H17N3O2/c23-18(22-10-9-13-5-1-2-6-14(13)12-22)11-17-15-7-3-4-8-16(15)19(24)21-20-17/h1-8H,9-12H2,(H,21,24)