4-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-fluoranyl-benzamide

Systemtic Name: 4-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-fluoranyl-benzamide Openeye Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-fluoro-benzamide CAS Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-fluorobenzamide IUPAC Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-fluorobenzamide Traditional Name: 4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-fluoro-benzamide Formula: C20H22BrFN2O MolecularWeight: 405.303883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(C=C(C=C1)Br)F)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNC(=O)C1=C(C=C(C=C1)Br)F)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22BrFN2O/c1-20(2,24-10-9-14-5-3-4-6-15(14)12-24)13-23-19(25)17-8-7-16(21)11-18(17)22/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,25)