[4-(1-adamantylcarbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2COC3=CC=CC=C3O2)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H30N2O4/c27-22(21-15-29-19-3-1-2-4-20(19)30-21)25-5-7-26(8-6-25)23(28)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18,21H,5-15H2/t16?,17?,18?,21-,24?/m0/s1