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

Systemtic Name: 7-fluoranyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-2H-isoquinolin-1-one Openeye Name: 7-fluoro-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-2H-isoquinolin-1-one CAS Name: 7-fluoro-4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-methyl-2H-isoquinolin-1-one IUPAC Name: 7-fluoro-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-2H-isoquinolin-1-one Traditional Name: 7-fluoro-4-[[4-(2-hydroxyethyl)piperazino]methyl]-3-methyl-isocarbostyril Formula: C17H22FN3O2 MolecularWeight: 319.373883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCN(CC3)CCO

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)F)C(=O)N1)CN3CCN(CC3)CCO

InChI

InChI=1S/C17H22FN3O2/c1-12-16(11-21-6-4-20(5-7-21)8-9-22)14-3-2-13(18)10-15(14)17(23)19-12/h2-3,10,22H,4-9,11H2,1H3,(H,19,23)