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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCF)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3I

Isomeric SMILES

CC(CCF)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3I

InChI

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