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

Systemtic Name: 7-bromanyl-3-(4-methylpiperazin-2-yl)-2H-isoquinolin-1-one Openeye Name: 7-bromo-3-(4-methylpiperazin-2-yl)-2H-isoquinolin-1-one CAS Name: 7-bromo-3-(4-methyl-2-piperazinyl)-2H-isoquinolin-1-one IUPAC Name: 7-bromo-3-(4-methylpiperazin-2-yl)-2H-isoquinolin-1-one Traditional Name: 7-bromo-3-(4-methylpiperazin-2-yl)isocarbostyril Formula: C14H16BrN3O MolecularWeight: 322.20034

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(C1)C2=CC3=C(C=C(C=C3)Br)C(=O)N2

Isomeric SMILES

CN1CCNC(C1)C2=CC3=C(C=C(C=C3)Br)C(=O)N2

InChI

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