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

Systemtic Name: 3-[3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[3-(hydroxymethyl)-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-(3-methylolpiperazino)isocarbostyril Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CO)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1CN(CC(N1)CO)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H17N3O2/c18-9-11-8-17(6-5-15-11)13-7-10-3-1-2-4-12(10)14(19)16-13/h1-4,7,11,15,18H,5-6,8-9H2,(H,16,19)