7-[methyl-[2,3,4-tris(oxidanyl)butyl]amino]-3-phenyl-2H-isoquinolin-1-one

Systemtic Name: 7-[methyl-[2,3,4-tris(oxidanyl)butyl]amino]-3-phenyl-2H-isoquinolin-1-one Openeye Name: 7-[methyl(2,3,4-trihydroxybutyl)amino]-3-phenyl-2H-isoquinolin-1-one CAS Name: 7-[methyl(2,3,4-trihydroxybutyl)amino]-3-phenyl-2H-isoquinolin-1-one IUPAC Name: 7-[methyl(2,3,4-trihydroxybutyl)amino]-3-phenyl-2H-isoquinolin-1-one Traditional Name: 7-[methyl(2,3,4-trihydroxybutyl)amino]-3-phenyl-isocarbostyril Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C(CO)O)O)C1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(C(CO)O)O)C1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4/c1-22(11-18(24)19(25)12-23)15-8-7-14-9-17(13-5-3-2-4-6-13)21-20(26)16(14)10-15/h2-10,18-19,23-25H,11-12H2,1H3,(H,21,26)