1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazino]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C21H25N3O4/c1-14-12-18(21(26)23-8-6-22(7-9-23)16(3)25)15(2)24(14)17-4-5-19-20(13-17)28-11-10-27-19/h4-5,12-13H,6-11H2,1-3H3