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

Systemtic Name: 2-[[6-chloranyl-4-(4-hydroxyphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-chloro-4-(4-hydroxyphenyl)-2-methyl-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-chloro-4-(4-hydroxyphenyl)-2-methyl-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-chloro-4-(4-hydroxyphenyl)-2-methyl-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-chloro-4-(4-hydroxyphenyl)-1-keto-2-methyl-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C25H17ClN2O4 MolecularWeight: 444.86648

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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)O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

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

InChI

InChI=1S/C25H17ClN2O4/c1-27-21(13-28-24(31)17-4-2-3-5-18(17)25(28)32)22(14-6-9-16(29)10-7-14)20-12-15(26)8-11-19(20)23(27)30/h2-12,29H,13H2,1H3