6-bromanyl-2-butyl-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-butyl-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 6-bromo-2-butyl-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 6-bromo-2-butyl-3-(hydroxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-butyl-3-(hydroxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 6-bromo-2-butyl-3-methylol-4-phenyl-isocarbostyril Formula: C20H20BrNO2 MolecularWeight: 386.2823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)CO

Isomeric SMILES

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)CO

InChI

InChI=1S/C20H20BrNO2/c1-2-3-11-22-18(13-23)19(14-7-5-4-6-8-14)17-12-15(21)9-10-16(17)20(22)24/h4-10,12,23H,2-3,11,13H2,1H3