5-fluoranyl-3-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2H-isoquinolin-1-one

Systemtic Name: 5-fluoranyl-3-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-fluoro-3-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-fluoro-3-[3-(hydroxymethyl)-4-methyl-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-fluoro-3-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-fluoro-3-(4-methyl-3-methylol-piperazino)isocarbostyril Formula: C15H18FN3O2 MolecularWeight: 291.320723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CO)C2=CC3=C(C=CC=C3F)C(=O)N2

Isomeric SMILES

CN1CCN(CC1CO)C2=CC3=C(C=CC=C3F)C(=O)N2

InChI

InChI=1S/C15H18FN3O2/c1-18-5-6-19(8-10(18)9-20)14-7-12-11(15(21)17-14)3-2-4-13(12)16/h2-4,7,10,20H,5-6,8-9H2,1H3,(H,17,21)