5-bromanyl-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 5-bromanyl-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one Openeye Name: 5-bromo-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one CAS Name: 5-bromo-3-(4-methyl-1-piperazinyl)-2H-isoquinolin-1-one IUPAC Name: 5-bromo-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one Traditional Name: 5-bromo-3-(4-methylpiperazino)isocarbostyril Formula: C14H16BrN3O MolecularWeight: 322.20034

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=CC=C3Br)C(=O)N2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=CC=C3Br)C(=O)N2

InChI

InChI=1S/C14H16BrN3O/c1-17-5-7-18(8-6-17)13-9-11-10(14(19)16-13)3-2-4-12(11)15/h2-4,9H,5-8H2,1H3,(H,16,19)