4-ethynyl-2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]isoquinolin-1-one

Systemtic Name: 4-ethynyl-2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]isoquinolin-1-one Openeye Name: 4-ethynyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]isoquinolin-1-one CAS Name: 4-ethynyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-isoquinolinone IUPAC Name: 4-ethynyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]isoquinolin-1-one Traditional Name: 4-ethynyl-2-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]isocarbostyril Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN(C(=O)C2=CC=CC=C21)C3CC(C(O3)CO)O

Isomeric SMILES

C#CC1=CN(C(=O)C2=CC=CC=C21)[C@H]3C[C@@H]([C@H](O3)CO)O

InChI

InChI=1S/C16H15NO4/c1-2-10-8-17(15-7-13(19)14(9-18)21-15)16(20)12-6-4-3-5-11(10)12/h1,3-6,8,13-15,18-19H,7,9H2/t13-,14+,15+/m0/s1