3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 3-[2-(homopiperonylamino)-2-keto-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)CC(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)CC(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N4O5/c1-30-19-5-3-17(4-6-19)26-23(29)27-11-10-24-18(14-27)13-22(28)25-9-8-16-2-7-20-21(12-16)32-15-31-20/h2-7,12,18,24H,8-11,13-15H2,1H3,(H,25,28)(H,26,29)