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

Systemtic Name: 3-[3-(hydroxymethyl)-4-(2-methylpropyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[3-(hydroxymethyl)-4-isobutyl-piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[3-(hydroxymethyl)-4-(2-methylpropyl)-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[3-(hydroxymethyl)-4-(2-methylpropyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-(4-isobutyl-3-methylol-piperazino)isocarbostyril Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-13(2)10-20-7-8-21(11-15(20)12-22)17-9-14-5-3-4-6-16(14)18(23)19-17/h3-6,9,13,15,22H,7-8,10-12H2,1-2H3,(H,19,23)