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

Systemtic Name: 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-propoxy-isoquinolin-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(6-chloro-2-methyl-1-oxo-4-propoxy-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(6-chloro-2-methyl-1-oxo-4-propoxy-3-isoquinolinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-chloro-2-methyl-1-oxo-4-propoxyisoquinolin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(6-chloro-1-keto-2-methyl-4-propoxy-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19ClN2O4/c1-3-10-29-19-17-11-13(23)8-9-16(17)20(26)24(2)18(19)12-25-21(27)14-6-4-5-7-15(14)22(25)28/h4-9,11H,3,10,12H2,1-2H3