3-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[3-(hydroxymethyl)-1-piperazinyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-(3-methylolpiperazino)isocarbostyril Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCNC(C3)CO

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCNC(C3)CO

InChI

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