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

Systemtic Name: 6-bromanyl-3-ethanoyl-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-acetyl-6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-acetyl-6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-acetyl-6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-acetyl-6-bromo-2-(4-methylolbenzyl)-4-phenyl-isocarbostyril Formula: C25H20BrNO3 MolecularWeight: 462.3352

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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)CO)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrNO3/c1-16(29)24-23(19-5-3-2-4-6-19)22-13-20(26)11-12-21(22)25(30)27(24)14-17-7-9-18(15-28)10-8-17/h2-13,28H,14-15H2,1H3