N-(3-fluoranylpropyl)-1-(3-iodanylphenyl)-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-(3-fluoranylpropyl)-1-(3-iodanylphenyl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: N-(3-fluoropropyl)-1-(3-iodophenyl)-N-methyl-isoquinoline-3-carboxamide CAS Name: N-(3-fluoropropyl)-1-(3-iodophenyl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: N-(3-fluoropropyl)-1-(3-iodophenyl)-N-methylisoquinoline-3-carboxamide Traditional Name: N-(3-fluoropropyl)-1-(3-iodophenyl)-N-methyl-isoquinoline-3-carboxamide Formula: C20H18FIN2O MolecularWeight: 448.272593

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCF)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)I

Isomeric SMILES

CN(CCCF)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H18FIN2O/c1-24(11-5-10-21)20(25)18-13-14-6-2-3-9-17(14)19(23-18)15-7-4-8-16(22)12-15/h2-4,6-9,12-13H,5,10-11H2,1H3