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

Systemtic Name: 7-bromanyl-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-bromo-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one CAS Name: 7-bromo-3-(4-methyl-1-piperazinyl)-2H-isoquinolin-1-one IUPAC Name: 7-bromo-3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one Traditional Name: 7-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=C(C=C3)Br)C(=O)N2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C(C=C3)Br)C(=O)N2

InChI

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