3-[3-[2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[3-[2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[3-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[3-[4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]propyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[3-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[3-(4-hydroxy-2-methylol-pyrrolidino)propyl]-5-methyl-isocarbostyril Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCCN3CC(CC3CO)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCCN3CC(CC3CO)O

InChI

InChI=1S/C18H24N2O3/c1-12-4-2-6-16-17(12)8-13(19-18(16)23)5-3-7-20-10-15(22)9-14(20)11-21/h2,4,6,8,14-15,21-22H,3,5,7,9-11H2,1H3,(H,19,23)