[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5/c1-2-24-9-11-25(12-10-24)18-6-4-17(5-7-18)23-21(26)14-28-22(27)16-3-8-19-20(13-16)30-15-29-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,23,26)