2-butoxy-6-chloranyl-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 2-butoxy-6-chloranyl-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 2-butoxy-6-chloro-3-(hydroxymethyl)-4-phenyl-isoquinolin-1-one CAS Name: 2-butoxy-6-chloro-3-(hydroxymethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 2-butoxy-6-chloro-3-(hydroxymethyl)-4-phenylisoquinolin-1-one Traditional Name: 2-butoxy-6-chloro-3-methylol-4-phenyl-isocarbostyril Formula: C20H20ClNO3 MolecularWeight: 357.8307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCON1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CO

Isomeric SMILES

CCCCON1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CO

InChI

InChI=1S/C20H20ClNO3/c1-2-3-11-25-22-18(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