2-(4-oxidanylbutyl)-3-thiophen-3-yl-isoquinolin-1-one

Systemtic Name: 2-(4-oxidanylbutyl)-3-thiophen-3-yl-isoquinolin-1-one Openeye Name: 2-(4-hydroxybutyl)-3-(3-thienyl)isoquinolin-1-one CAS Name: 2-(4-hydroxybutyl)-3-(3-thiophenyl)-1-isoquinolinone IUPAC Name: 2-(4-hydroxybutyl)-3-thiophen-3-ylisoquinolin-1-one Traditional Name: 2-(4-hydroxybutyl)-3-(3-thienyl)isocarbostyril Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)CCCCO)C3=CSC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)CCCCO)C3=CSC=C3

InChI

InChI=1S/C17H17NO2S/c19-9-4-3-8-18-16(14-7-10-21-12-14)11-13-5-1-2-6-15(13)17(18)20/h1-2,5-7,10-12,19H,3-4,8-9H2