N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-butyl-ethanediamide

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-butyl-ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-butyl-oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-N-butyloxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-butyloxamide Traditional Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-N-butyl-oxamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4/c1-2-3-11-26-24(30)25(31)27-17-21(19-9-10-22-23(16-19)33-18-32-22)29-14-12-28(13-15-29)20-7-5-4-6-8-20/h4-10,16,21H,2-3,11-15,17-18H2,1H3,(H,26,30)(H,27,31)