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

Systemtic Name: 2-[(4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinolin-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-butoxy-6-chloro-1-oxo-2-propyl-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-butoxy-6-chloro-1-oxo-2-propyl-3-isoquinolinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-butoxy-6-chloro-1-oxo-2-propylisoquinolin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-6-chloro-1-keto-2-propyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25ClN2O4/c1-3-5-13-32-22-20-14-16(26)10-11-19(20)23(29)27(12-4-2)21(22)15-28-24(30)17-8-6-7-9-18(17)25(28)31/h6-11,14H,3-5,12-13,15H2,1-2H3