3-azanyl-2-(4-bromanyl-2-methyl-phenyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(4-bromanyl-2-methyl-phenyl)isoquinolin-1-one Openeye Name: 3-amino-2-(4-bromo-2-methyl-phenyl)isoquinolin-1-one CAS Name: 3-amino-2-(4-bromo-2-methylphenyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(4-bromo-2-methylphenyl)isoquinolin-1-one Traditional Name: 3-amino-2-(4-bromo-2-methyl-phenyl)isocarbostyril Formula: C16H13BrN2O MolecularWeight: 329.19122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=CC3=CC=CC=C3C2=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=CC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C16H13BrN2O/c1-10-8-12(17)6-7-14(10)19-15(18)9-11-4-2-3-5-13(11)16(19)20/h2-9H,18H2,1H3