6-chloranyl-3-(hydroxymethyl)-2-methyl-4-phenethyloxy-isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-(hydroxymethyl)-2-methyl-4-phenethyloxy-isoquinolin-1-one Openeye Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-phenethyloxy-isoquinolin-1-one CAS Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-phenethyloxy-1-isoquinolinone IUPAC Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-phenethyloxyisoquinolin-1-one Traditional Name: 6-chloro-2-methyl-3-methylol-4-phenethyloxy-isocarbostyril Formula: C19H18ClNO3 MolecularWeight: 343.80412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCCC3=CC=CC=C3)CO

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCCC3=CC=CC=C3)CO

InChI

InChI=1S/C19H18ClNO3/c1-21-17(12-22)18(24-10-9-13-5-3-2-4-6-13)16-11-14(20)7-8-15(16)19(21)23/h2-8,11,22H,9-10,12H2,1H3