4-butoxy-6,7-bis(chloranyl)-2-(furan-2-ylmethyl)-3-(hydroxymethyl)isoquinolin-1-one

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-2-(furan-2-ylmethyl)-3-(hydroxymethyl)isoquinolin-1-one Openeye Name: 4-butoxy-6,7-dichloro-2-(2-furylmethyl)-3-(hydroxymethyl)isoquinolin-1-one CAS Name: 4-butoxy-6,7-dichloro-2-(2-furanylmethyl)-3-(hydroxymethyl)-1-isoquinolinone IUPAC Name: 4-butoxy-6,7-dichloro-2-(furan-2-ylmethyl)-3-(hydroxymethyl)isoquinolin-1-one Traditional Name: 4-butoxy-6,7-dichloro-2-(2-furfuryl)-3-methylol-isocarbostyril Formula: C19H19Cl2NO4 MolecularWeight: 396.26446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CO3)CO

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CO3)CO

InChI

InChI=1S/C19H19Cl2NO4/c1-2-3-6-26-18-13-8-15(20)16(21)9-14(13)19(24)22(17(18)11-23)10-12-5-4-7-25-12/h4-5,7-9,23H,2-3,6,10-11H2,1H3