N-(4-fluoranylbutan-2-yl)-1-(4-iodophenyl)-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-(4-fluoranylbutan-2-yl)-1-(4-iodophenyl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: N-(3-fluoro-1-methyl-propyl)-1-(4-iodophenyl)-N-methyl-isoquinoline-3-carboxamide CAS Name: N-(4-fluorobutan-2-yl)-1-(4-iodophenyl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: N-(4-fluorobutan-2-yl)-1-(4-iodophenyl)-N-methylisoquinoline-3-carboxamide Traditional Name: N-(3-fluoro-1-methyl-propyl)-1-(4-iodophenyl)-N-methyl-isoquinoline-3-carboxamide Formula: C21H20FIN2O MolecularWeight: 462.299173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCF)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)I

Isomeric SMILES

CC(CCF)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H20FIN2O/c1-14(11-12-22)25(2)21(26)19-13-16-5-3-4-6-18(16)20(24-19)15-7-9-17(23)10-8-15/h3-10,13-14H,11-12H2,1-2H3