2-[[2-(2-oxidanylideneimidazolidin-1-yl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2-oxidanylideneimidazolidin-1-yl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(2-oxoimidazolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[oxo-(2-oxo-1-imidazolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2-oxoimidazolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(2-ketoimidazolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)N5CCNC5=O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)N5CCNC5=O

InChI

InChI=1S/C22H20N4O4/c27-19-16-7-3-4-8-17(16)20(28)26(19)13-18-15-6-2-1-5-14(15)9-11-24(18)22(30)25-12-10-23-21(25)29/h1-8,18H,9-13H2,(H,23,29)