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

Systemtic Name: 3-[(3S)-3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[(3S)-3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[(3S)-3-(hydroxymethyl)-4-methyl-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-[(3S)-4-methyl-3-methylol-piperazino]isocarbostyril Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CN1CCN(C[C@H]1CO)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H19N3O2/c1-17-6-7-18(9-12(17)10-19)14-8-11-4-2-3-5-13(11)15(20)16-14/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,16,20)/t12-/m0/s1