3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: N,N-diethyl-3-[[2-(4-piperonylpiperazino)acetyl]amino]benzamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H32N4O4/c1-3-29(4-2)25(31)20-6-5-7-21(15-20)26-24(30)17-28-12-10-27(11-13-28)16-19-8-9-22-23(14-19)33-18-32-22/h5-9,14-15H,3-4,10-13,16-18H2,1-2H3,(H,26,30)