3-[[3-(dimethylamino)-2-oxidanyl-propoxy]methyl]-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-[[3-(dimethylamino)-2-oxidanyl-propoxy]methyl]-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[3-(dimethylamino)-2-hydroxy-propoxy]methyl]-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-6-methoxy-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[3-(dimethylamino)-2-hydroxypropoxy]methyl]-6-methoxy-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[[3-(dimethylamino)-2-hydroxy-propoxy]methyl]-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCC(CN(C)C)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCC(CN(C)C)O

InChI

InChI=1S/C23H28N2O4/c1-24(2)13-17(26)14-29-15-21-22(16-8-6-5-7-9-16)20-12-18(28-4)10-11-19(20)23(27)25(21)3/h5-12,17,26H,13-15H2,1-4H3