N-[1-(3-bromophenyl)ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromophenyl)ethyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromophenyl)ethyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromophenyl)ethyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromophenyl)ethyl]acetamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H21BrN2O2/c1-14(17-7-5-8-18(22)12-17)23-21(26)13-20-19-9-4-3-6-16(19)10-11-24(20)15(2)25/h3-12,14,20H,13H2,1-2H3,(H,23,26)