N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[2-(piperonylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C26H28N2O4 MolecularWeight: 432.51152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H28N2O4/c29-24(27-14-16-5-6-22-23(10-16)32-15-31-22)20-3-1-2-4-21(20)28-25(30)26-11-17-7-18(12-26)9-19(8-17)13-26/h1-6,10,17-19H,7-9,11-15H2,(H,27,29)(H,28,30)