1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(E)-1-phenylethylideneamino]oxy-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(E)-1-phenylethylideneamino]oxy-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(E)-1-phenylethylideneamino]oxy-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(E)-1-phenylethylideneamino]oxyethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(E)-1-phenylethylideneamino]oxyethanone Traditional Name: 2-[(E)-1-phenylethylideneamino]oxy-1-(4-piperonylpiperazino)ethanone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\OCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c1-17(19-5-3-2-4-6-19)23-29-15-22(26)25-11-9-24(10-12-25)14-18-7-8-20-21(13-18)28-16-27-20/h2-8,13H,9-12,14-16H2,1H3/b23-17+