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

Systemtic Name: 3-[3-(hydroxymethyl)-4-(phenylmethyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[4-benzyl-3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[3-(hydroxymethyl)-4-(phenylmethyl)-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-benzyl-3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-(4-benzyl-3-methylol-piperazino)isocarbostyril Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC3=CC=CC=C3C(=O)N2)CO)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1C2=CC3=CC=CC=C3C(=O)N2)CO)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-15-18-14-24(11-10-23(18)13-16-6-2-1-3-7-16)20-12-17-8-4-5-9-19(17)21(26)22-20/h1-9,12,18,25H,10-11,13-15H2,(H,22,26)