N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-(piperonylamino)ethyl]adamantane-1-carboxamide Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N2O4/c24-19(22-10-13-1-2-17-18(6-13)27-12-26-17)11-23-20(25)21-7-14-3-15(8-21)5-16(4-14)9-21/h1-2,6,14-16H,3-5,7-12H2,(H,22,24)(H,23,25)