4-[3-[1-(4-azanylphenoxy)propan-2-ylamino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one

Systemtic Name: 4-[3-[1-(4-azanylphenoxy)propan-2-ylamino]-2-oxidanyl-propoxy]-2H-isoquinolin-1-one Openeye Name: 4-[3-[[2-(4-aminophenoxy)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]-2H-isoquinolin-1-one CAS Name: 4-[3-[1-(4-aminophenoxy)propan-2-ylamino]-2-hydroxypropoxy]-2H-isoquinolin-1-one IUPAC Name: 4-[3-[1-(4-aminophenoxy)propan-2-ylamino]-2-hydroxypropoxy]-2H-isoquinolin-1-one Traditional Name: 4-[3-[[2-(4-aminophenoxy)-1-methyl-ethyl]amino]-2-hydroxy-propoxy]isocarbostyril Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-14(12-27-17-8-6-15(22)7-9-17)23-10-16(25)13-28-20-11-24-21(26)19-5-3-2-4-18(19)20/h2-9,11,14,16,23,25H,10,12-13,22H2,1H3,(H,24,26)