2-[[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C23H20Cl2N2O4 MolecularWeight: 459.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20Cl2N2O4/c1-3-4-9-31-20-15-10-17(24)18(25)11-16(15)21(28)26(2)19(20)12-27-22(29)13-7-5-6-8-14(13)23(27)30/h5-8,10-11H,3-4,9,12H2,1-2H3