1-[2-(1-adamantylcarbonylamino)ethanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(1-adamantylcarbonylamino)ethanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(adamantane-1-carbonylamino)acetyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: 1-[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]-N-(1,3-benzodioxol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(adamantane-1-carbonylamino)acetyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(adamantane-1-carbonylamino)acetyl]-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H33N3O5/c30-23(14-27-25(32)26-11-16-7-17(12-26)9-18(8-16)13-26)29-5-3-19(4-6-29)24(31)28-20-1-2-21-22(10-20)34-15-33-21/h1-2,10,16-19H,3-9,11-15H2,(H,27,32)(H,28,31)