N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(piperonylamino)butyl]adamantane-1-carboxamide Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c26-21(25-13-15-3-4-19-20(9-15)29-14-28-19)2-1-5-24-22(27)23-10-16-6-17(11-23)8-18(7-16)12-23/h3-4,9,16-18H,1-2,5-8,10-14H2,(H,24,27)(H,25,26)