N-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluorobenzamide IUPAC Name: N-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-4-fluoro-benzamide Formula: C24H21FN2O3 MolecularWeight: 404.433543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H21FN2O3/c1-29-21-13-16-11-12-26-23(19(16)14-22(21)30-2)18-5-3-4-6-20(18)27-24(28)15-7-9-17(25)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,27,28)