2-[2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-oxo-4-(3-pyridyl)phthalazin-2-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[1-keto-4-(3-pyridyl)phthalazin-2-yl]ethyl]isoindoline-1,3-quinone Formula: C23H16N4O3 MolecularWeight: 396.39814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CN=CC=C5

InChI

InChI=1S/C23H16N4O3/c28-21-18-9-3-4-10-19(18)22(29)26(21)12-13-27-23(30)17-8-2-1-7-16(17)20(25-27)15-6-5-11-24-14-15/h1-11,14H,12-13H2