N-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-(2-isoquinolin-4-ylethyl)benzamide

Systemtic Name: N-[3,5-bis(bromanyl)-4-methyl-phenyl]-3-(2-isoquinolin-4-ylethyl)benzamide Openeye Name: N-(3,5-dibromo-4-methyl-phenyl)-3-[2-(4-isoquinolyl)ethyl]benzamide CAS Name: N-(3,5-dibromo-4-methylphenyl)-3-[2-(4-isoquinolinyl)ethyl]benzamide IUPAC Name: N-(3,5-dibromo-4-methylphenyl)-3-(2-isoquinolin-4-ylethyl)benzamide Traditional Name: N-(3,5-dibromo-4-methyl-phenyl)-3-[2-(4-isoquinolyl)ethyl]benzamide Formula: C25H20Br2N2O MolecularWeight: 524.2471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)NC(=O)C2=CC(=CC=C2)CCC3=CN=CC4=CC=CC=C43)Br

Isomeric SMILES

CC1=C(C=C(C=C1Br)NC(=O)C2=CC(=CC=C2)CCC3=CN=CC4=CC=CC=C43)Br

InChI

InChI=1S/C25H20Br2N2O/c1-16-23(26)12-21(13-24(16)27)29-25(30)18-7-4-5-17(11-18)9-10-20-15-28-14-19-6-2-3-8-22(19)20/h2-8,11-15H,9-10H2,1H3,(H,29,30)