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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19ClN2O4/c1-3-4-11-29-18-17-12-13(23)9-10-16(17)20(26)24(2)19(18)25-21(27)14-7-5-6-8-15(14)22(25)28/h5-10,12H,3-4,11H2,1-2H3