N-(4-oxidanylbutyl)isoquinoline-3-carboxamide

Systemtic Name: N-(4-oxidanylbutyl)isoquinoline-3-carboxamide Openeye Name: N-(4-hydroxybutyl)isoquinoline-3-carboxamide CAS Name: N-(4-hydroxybutyl)-3-isoquinolinecarboxamide IUPAC Name: N-(4-hydroxybutyl)isoquinoline-3-carboxamide Traditional Name: N-(4-hydroxybutyl)isoquinoline-3-carboxamide Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NCCCCO

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NCCCCO

InChI

InChI=1S/C14H16N2O2/c17-8-4-3-7-15-14(18)13-9-11-5-1-2-6-12(11)10-16-13/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,15,18)