N-butyl-5-oxidanyl-isoquinoline-1-carboxamide

Systemtic Name: N-butyl-5-oxidanyl-isoquinoline-1-carboxamide Openeye Name: N-butyl-5-hydroxy-isoquinoline-1-carboxamide CAS Name: N-butyl-5-hydroxy-1-isoquinolinecarboxamide IUPAC Name: N-butyl-5-hydroxyisoquinoline-1-carboxamide Traditional Name: N-butyl-5-hydroxy-isoquinoline-1-carboxamide Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NC=CC2=C1C=CC=C2O

Isomeric SMILES

CCCCNC(=O)C1=NC=CC2=C1C=CC=C2O

InChI

InChI=1S/C14H16N2O2/c1-2-3-8-16-14(18)13-11-5-4-6-12(17)10(11)7-9-15-13/h4-7,9,17H,2-3,8H2,1H3,(H,16,18)