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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C25H22N4O2/c30-24(28-14-11-19-5-1-2-6-20(19)16-28)17-29-25(31)22-8-4-3-7-21(22)23(27-29)15-18-9-12-26-13-10-18/h1-10,12-13H,11,14-17H2