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

Systemtic Name: 3-phenyl-7-[2,3,4-tris(oxidanyl)butylamino]-2H-isoquinolin-1-one Openeye Name: 3-phenyl-7-(2,3,4-trihydroxybutylamino)-2H-isoquinolin-1-one CAS Name: 3-phenyl-7-(2,3,4-trihydroxybutylamino)-2H-isoquinolin-1-one IUPAC Name: 3-phenyl-7-(2,3,4-trihydroxybutylamino)-2H-isoquinolin-1-one Traditional Name: 3-phenyl-7-(2,3,4-trihydroxybutylamino)isocarbostyril Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NCC(C(CO)O)O)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NCC(C(CO)O)O)C(=O)N2

InChI

InChI=1S/C19H20N2O4/c22-11-18(24)17(23)10-20-14-7-6-13-8-16(12-4-2-1-3-5-12)21-19(25)15(13)9-14/h1-9,17-18,20,22-24H,10-11H2,(H,21,25)