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

Systemtic Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-pentyl-ethanediamide Openeye Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-pentyl-oxamide CAS Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-N-pentyloxamide IUPAC Name: N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-pentyloxamide Traditional Name: N-amyl-N'-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]oxamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c1-2-3-7-12-27-25(31)26(32)28-18-22(20-10-11-23-24(17-20)34-19-33-23)30-15-13-29(14-16-30)21-8-5-4-6-9-21/h4-6,8-11,17,22H,2-3,7,12-16,18-19H2,1H3,(H,27,31)(H,28,32)