N-[[4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(2-bromo-4-methyl-phenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[(2-bromo-4-methylanilino)-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(2-bromo-4-methylphenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(2-bromo-4-methyl-phenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C26H29BrN2O2 MolecularWeight: 481.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C26H29BrN2O2/c1-16-2-7-23(22(27)8-16)29-24(30)21-5-3-17(4-6-21)15-28-25(31)26-12-18-9-19(13-26)11-20(10-18)14-26/h2-8,18-20H,9-15H2,1H3,(H,28,31)(H,29,30)