3-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 3-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one Openeye Name: 3-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[3-(hydroxymethyl)-4-methyl-1-piperazinyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-(4-methyl-3-methylol-piperazino)isocarbostyril Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(C(C3)CO)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(C(C3)CO)C

InChI

InChI=1S/C16H21N3O2/c1-11-4-3-5-13-14(11)8-15(17-16(13)21)19-7-6-18(2)12(9-19)10-20/h3-5,8,12,20H,6-7,9-10H2,1-2H3,(H,17,21)