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

Systemtic Name: 2-[[4-butoxy-6,7-bis(chloranyl)-2-cyclopropyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxo-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxo-3-isoquinolinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxoisoquinolin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-6,7-dichloro-2-cyclopropyl-1-keto-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C25H22Cl2N2O4 MolecularWeight: 485.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C3CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C3CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22Cl2N2O4/c1-2-3-10-33-22-17-11-19(26)20(27)12-18(17)25(32)29(14-8-9-14)21(22)13-28-23(30)15-6-4-5-7-16(15)24(28)31/h4-7,11-12,14H,2-3,8-10,13H2,1H3