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

Systemtic Name: 2-[[6-chloranyl-4-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-chloro-1-keto-4-(4-methoxyphenyl)-2-methyl-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C26H19ClN2O4 MolecularWeight: 458.89306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H19ClN2O4/c1-28-22(14-29-25(31)18-5-3-4-6-19(18)26(29)32)23(15-7-10-17(33-2)11-8-15)21-13-16(27)9-12-20(21)24(28)30/h3-13H,14H2,1-2H3