N-[(4-bromophenyl)methyl]-2-isoquinolin-5-yl-ethanamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-isoquinolin-5-yl-ethanamide Openeye Name: N-[(4-bromophenyl)methyl]-2-(5-isoquinolyl)acetamide CAS Name: N-[(4-bromophenyl)methyl]-2-(5-isoquinolinyl)acetamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-isoquinolin-5-ylacetamide Traditional Name: N-(4-bromobenzyl)-2-(5-isoquinolyl)acetamide Formula: C18H15BrN2O MolecularWeight: 355.2285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)CC(=O)NCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)CC(=O)NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O/c19-16-6-4-13(5-7-16)11-21-18(22)10-14-2-1-3-15-12-20-9-8-17(14)15/h1-9,12H,10-11H2,(H,21,22)