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

Systemtic Name: 2-[1-[4-butoxy-6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolyl)hexyl]isoindoline-1,3-dione CAS Name: 2-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxo-3-isoquinolinyl)hexyl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-butoxy-6,7-dichloro-2-methyl-1-oxoisoquinolin-3-yl)hexyl]isoindole-1,3-dione Traditional Name: 2-[1-(4-butoxy-6,7-dichloro-1-keto-2-methyl-3-isoquinolyl)hexyl]isoindoline-1,3-quinone Formula: C28H30Cl2N2O4 MolecularWeight: 529.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C2=CC(=C(C=C2C(=O)N1C)Cl)Cl)OCCCC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCC(C1=C(C2=CC(=C(C=C2C(=O)N1C)Cl)Cl)OCCCC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H30Cl2N2O4/c1-4-6-8-13-23(32-27(34)17-11-9-10-12-18(17)28(32)35)24-25(36-14-7-5-2)19-15-21(29)22(30)16-20(19)26(33)31(24)3/h9-12,15-16,23H,4-8,13-14H2,1-3H3