6-bromanyl-3-ethanoyl-2-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-3-ethanoyl-2-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-acetyl-6-bromo-2-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-acetyl-6-bromo-2-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-acetyl-6-bromo-2-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-acetyl-6-bromo-2-[4-(1-hydroxy-1-methyl-ethyl)benzyl]-4-phenyl-isocarbostyril Formula: C27H24BrNO3 MolecularWeight: 490.38836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(C)(C)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(C)(C)O)C4=CC=CC=C4

InChI

InChI=1S/C27H24BrNO3/c1-17(30)25-24(19-7-5-4-6-8-19)23-15-21(28)13-14-22(23)26(31)29(25)16-18-9-11-20(12-10-18)27(2,3)32/h4-15,32H,16H2,1-3H3