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

Systemtic Name: 3-[4-ethyl-3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[4-ethyl-3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[4-ethyl-3-(hydroxymethyl)-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-ethyl-3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-(4-ethyl-3-methylol-piperazino)isocarbostyril Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCN1CCN(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H21N3O2/c1-2-18-7-8-19(10-13(18)11-20)15-9-12-5-3-4-6-14(12)16(21)17-15/h3-6,9,13,20H,2,7-8,10-11H2,1H3,(H,17,21)