N-(1-adamantyl)-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazine-1-carboxamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)[C@H]2COC3=CC=CC=C3O2)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H31N3O4/c28-22(21-15-30-19-3-1-2-4-20(19)31-21)26-5-7-27(8-6-26)23(29)25-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18,21H,5-15H2,(H,25,29)/t16?,17?,18?,21-,24?/m1/s1