4-[2-[[2-oxidanyl-3-[(1-oxidanylidene-2H-isoquinolin-4-yl)oxy]propyl]amino]propoxy]benzamide

Systemtic Name: 4-[2-[[2-oxidanyl-3-[(1-oxidanylidene-2H-isoquinolin-4-yl)oxy]propyl]amino]propoxy]benzamide Openeye Name: 4-[2-[[2-hydroxy-3-[(1-oxo-2H-isoquinolin-4-yl)oxy]propyl]amino]propoxy]benzamide CAS Name: 4-[2-[[2-hydroxy-3-[(1-oxo-2H-isoquinolin-4-yl)oxy]propyl]amino]propoxy]benzamide IUPAC Name: 4-[2-[[2-hydroxy-3-[(1-oxo-2H-isoquinolin-4-yl)oxy]propyl]amino]propoxy]benzamide Traditional Name: 4-[2-[[2-hydroxy-3-[(1-keto-2H-isoquinolin-4-yl)oxy]propyl]amino]propoxy]benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)C(=O)N)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)C(=O)N)NCC(COC2=CNC(=O)C3=CC=CC=C32)O

InChI

InChI=1S/C22H25N3O5/c1-14(12-29-17-8-6-15(7-9-17)21(23)27)24-10-16(26)13-30-20-11-25-22(28)19-5-3-2-4-18(19)20/h2-9,11,14,16,24,26H,10,12-13H2,1H3,(H2,23,27)(H,25,28)