7-[2,3-bis(oxidanyl)propyl-(2-hydroxyethyl)amino]-3-phenyl-2H-isoquinolin-1-one

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl-(2-hydroxyethyl)amino]-3-phenyl-2H-isoquinolin-1-one Openeye Name: 7-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-3-phenyl-2H-isoquinolin-1-one CAS Name: 7-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-3-phenyl-2H-isoquinolin-1-one IUPAC Name: 7-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-3-phenyl-2H-isoquinolin-1-one Traditional Name: 7-[glyceryl(2-hydroxyethyl)amino]-3-phenyl-isocarbostyril Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c23-9-8-22(12-17(25)13-24)16-7-6-15-10-19(14-4-2-1-3-5-14)21-20(26)18(15)11-16/h1-7,10-11,17,23-25H,8-9,12-13H2,(H,21,26)