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

Systemtic Name: 3-[3-(hydroxymethyl)-4-propyl-piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[3-(hydroxymethyl)-4-propyl-piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[3-(hydroxymethyl)-4-propyl-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[3-(hydroxymethyl)-4-propylpiperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-(3-methylol-4-propyl-piperazino)isocarbostyril Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCCN1CCN(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C17H23N3O2/c1-2-7-19-8-9-20(11-14(19)12-21)16-10-13-5-3-4-6-15(13)17(22)18-16/h3-6,10,14,21H,2,7-9,11-12H2,1H3,(H,18,22)