7-bromanyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2H-isoquinolin-1-one

Systemtic Name: 7-bromanyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 7-bromo-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 7-bromo-3-[4-(2-hydroxyethyl)-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 7-bromo-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 7-bromo-3-[4-(2-hydroxyethyl)piperazino]isocarbostyril Formula: C15H18BrN3O2 MolecularWeight: 352.22632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC3=C(C=C(C=C3)Br)C(=O)N2

Isomeric SMILES

C1CN(CCN1CCO)C2=CC3=C(C=C(C=C3)Br)C(=O)N2

InChI

InChI=1S/C15H18BrN3O2/c16-12-2-1-11-9-14(17-15(21)13(11)10-12)19-5-3-18(4-6-19)7-8-20/h1-2,9-10,20H,3-8H2,(H,17,21)