N-[(4-bromophenyl)methyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4-bromophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4-bromophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4-bromophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-bromobenzyl)-N-methyl-acetamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N(C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N(C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O2/c1-15(25)24-12-11-17-5-3-4-6-19(17)20(24)13-21(26)23(2)14-16-7-9-18(22)10-8-16/h3-12,20H,13-14H2,1-2H3/t20-/m0/s1