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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(piperonylamino)propyl]adamantane-1-carboxamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c25-20(24-12-14-1-2-18-19(8-14)28-13-27-18)3-4-23-21(26)22-9-15-5-16(10-22)7-17(6-15)11-22/h1-2,8,15-17H,3-7,9-13H2,(H,23,26)(H,24,25)