2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H30N2O4/c1-5-6-15-33-23-18-11-7-8-12-19(18)26(32)29(17-27(2,3)4)22(23)16-28-24(30)20-13-9-10-14-21(20)25(28)31/h7-14H,5-6,15-17H2,1-4H3