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

Systemtic Name: 6-chloranyl-3-(hydroxymethyl)-2-methyl-4-propoxy-isoquinolin-1-one Openeye Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-propoxy-isoquinolin-1-one CAS Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-propoxy-1-isoquinolinone IUPAC Name: 6-chloro-3-(hydroxymethyl)-2-methyl-4-propoxyisoquinolin-1-one Traditional Name: 6-chloro-2-methyl-3-methylol-4-propoxy-isocarbostyril Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)CO

Isomeric SMILES

CCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)CO

InChI

InChI=1S/C14H16ClNO3/c1-3-6-19-13-11-7-9(15)4-5-10(11)14(18)16(2)12(13)8-17/h4-5,7,17H,3,6,8H2,1-2H3