N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-piperidyl]adamantane-1-carboxamide CAS Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-piperidinyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-4-piperidyl]adamantane-1-carboxamide Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H33N3O4/c29-23(26-20-1-2-21-22(10-20)32-15-31-21)14-28-5-3-19(4-6-28)27-24(30)25-11-16-7-17(12-25)9-18(8-16)13-25/h1-2,10,16-19H,3-9,11-15H2,(H,26,29)(H,27,30)