N-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(1-adamantylcarbonyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(adamantane-1-carbonyl)piperazino]ethyl]-piperonylamide Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

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