N-[[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-(homopiperonylcarbamoyl)benzyl]adamantane-1-carboxamide Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H32N2O4/c31-26(29-8-7-18-3-6-24-25(12-18)34-17-33-24)23-4-1-19(2-5-23)16-30-27(32)28-13-20-9-21(14-28)11-22(10-20)15-28/h1-6,12,20-22H,7-11,13-17H2,(H,29,31)(H,30,32)