(E)-N-(4-bromanylisoquinolin-5-yl)octadec-9-enamide

Systemtic Name: (E)-N-(4-bromanylisoquinolin-5-yl)octadec-9-enamide Openeye Name: (E)-N-(4-bromo-5-isoquinolyl)octadec-9-enamide CAS Name: (E)-N-(4-bromo-5-isoquinolinyl)-9-octadecenamide IUPAC Name: (E)-N-(4-bromoisoquinolin-5-yl)octadec-9-enamide Traditional Name: (E)-N-(4-bromo-5-isoquinolyl)octadec-9-enamide Formula: C27H39BrN2O MolecularWeight: 487.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC=CC2=CN=CC(=C21)Br

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=CC=CC2=CN=CC(=C21)Br

InChI

InChI=1S/C27H39BrN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(31)30-25-19-17-18-23-21-29-22-24(28)27(23)25/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3,(H,30,31)/b10-9+