2-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-1-keto-7-methyl-2-neopentyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)C)CC(C)(C)C)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)C)CC(C)(C)C)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H32N2O4/c1-6-7-14-34-24-19-13-12-18(2)15-22(19)27(33)30(17-28(3,4)5)23(24)16-29-25(31)20-10-8-9-11-21(20)26(29)32/h8-13,15H,6-7,14,16-17H2,1-5H3