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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 3-[2-keto-2-(piperonylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N4O5/c1-29-18-5-3-16(4-6-18)25-22(28)26-9-8-23-17(13-26)11-21(27)24-12-15-2-7-19-20(10-15)31-14-30-19/h2-7,10,17,23H,8-9,11-14H2,1H3,(H,24,27)(H,25,28)