N-(5-bromanyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-ethanoyl-4-propan-2-yloxy-benzamide

Systemtic Name: N-(5-bromanyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-ethanoyl-4-propan-2-yloxy-benzamide Openeye Name: 3-acetyl-N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-isopropoxy-benzamide CAS Name: 3-acetyl-N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-propan-2-yloxybenzamide IUPAC Name: 3-acetyl-N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-propan-2-yloxybenzamide Traditional Name: 3-acetyl-N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-4-isopropoxy-benzamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Br)C(=O)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Br)C(=O)C

InChI

InChI=1S/C21H23BrN2O3/c1-12(2)27-20-5-4-14(9-18(20)13(3)25)21(26)24-16-8-15-11-23-7-6-17(15)19(22)10-16/h4-5,8-10,12,23H,6-7,11H2,1-3H3,(H,24,26)