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

Systemtic Name: 2-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)butyl]isoindoline-1,3-dione CAS Name: 2-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[1-(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)butyl]isoindoline-1,3-quinone Formula: C26H26Cl2N2O4 MolecularWeight: 501.40164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C)C(CCC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C)C(CCC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H26Cl2N2O4/c1-4-6-12-34-23-17-13-19(27)20(28)14-18(17)24(31)29(3)22(23)21(9-5-2)30-25(32)15-10-7-8-11-16(15)26(30)33/h7-8,10-11,13-14,21H,4-6,9,12H2,1-3H3