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

Systemtic Name: 5-bromanyl-3-[3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-bromo-3-[3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-bromo-3-[3-(hydroxymethyl)-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-bromo-3-[3-(hydroxymethyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-bromo-3-(3-methylolpiperazino)isocarbostyril Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CO)C2=CC3=C(C=CC=C3Br)C(=O)N2

Isomeric SMILES

C1CN(CC(N1)CO)C2=CC3=C(C=CC=C3Br)C(=O)N2

InChI

InChI=1S/C14H16BrN3O2/c15-12-3-1-2-10-11(12)6-13(17-14(10)20)18-5-4-16-9(7-18)8-19/h1-3,6,9,16,19H,4-5,7-8H2,(H,17,20)