2-[[6-bromanyl-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-bromanyl-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(6-bromo-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C27H29BrN2O4 MolecularWeight: 525.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2O4/c1-5-6-13-34-23-21-14-17(28)11-12-20(21)26(33)30(16-27(2,3)4)22(23)15-29-24(31)18-9-7-8-10-19(18)25(29)32/h7-12,14H,5-6,13,15-16H2,1-4H3