N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]acetamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O3/c1-14(17-8-9-21(28-3)19(23)12-17)24-22(27)13-20-18-7-5-4-6-16(18)10-11-25(20)15(2)26/h4-12,14,20H,13H2,1-3H3,(H,24,27)