6-bromanyl-4-phenyl-3-propanoyl-2H-isoquinolin-1-one

Systemtic Name: 6-bromanyl-4-phenyl-3-propanoyl-2H-isoquinolin-1-one Openeye Name: 6-bromo-4-phenyl-3-propanoyl-2H-isoquinolin-1-one CAS Name: 6-bromo-3-(1-oxopropyl)-4-phenyl-2H-isoquinolin-1-one IUPAC Name: 6-bromo-4-phenyl-3-propanoyl-2H-isoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-3-propionyl-isocarbostyril Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C18H14BrNO2/c1-2-15(21)17-16(11-6-4-3-5-7-11)14-10-12(19)8-9-13(14)18(22)20-17/h3-10H,2H2,1H3,(H,20,22)