2-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methoxy-benzamide Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C=CC(=C1)OC)Br)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)C1=C(C=CC(=C1)OC)Br)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25BrN2O2/c1-3-17(24-11-10-15-6-4-5-7-16(15)14-24)13-23-21(25)19-12-18(26-2)8-9-20(19)22/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25)