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

Systemtic Name: 3-ethyl-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one Openeye Name: 3-ethyl-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one CAS Name: 3-ethyl-4-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-2H-isoquinolin-1-one IUPAC Name: 3-ethyl-4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2H-isoquinolin-1-one Traditional Name: 3-ethyl-4-[(2-methylolpyrrolidino)methyl]isocarbostyril Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C(=O)N1)CN3CCCC3CO

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C(=O)N1)CN3CCCC3CO

InChI

InChI=1S/C17H22N2O2/c1-2-16-15(10-19-9-5-6-12(19)11-20)13-7-3-4-8-14(13)17(21)18-16/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3,(H,18,21)