2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-(4-piperonylpiperazino)acetamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-16(26)18-3-2-4-19(12-18)23-22(27)14-25-9-7-24(8-10-25)13-17-5-6-20-21(11-17)29-15-28-20/h2-6,11-12H,7-10,13-15H2,1H3,(H,23,27)