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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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