N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-fluoro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-fluorobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-fluoro-benzamide Formula: C26H28FN3O MolecularWeight: 417.518423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H28FN3O/c1-29(2)24-12-10-20(11-13-24)25(17-28-26(31)21-8-5-9-23(27)16-21)30-15-14-19-6-3-4-7-22(19)18-30/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,28,31)