1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-yl)-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazinyl)-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-yl)-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazino)-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H27N3O4/c1-15-10-19(20(27)13-23-6-8-24(9-7-23)17(3)26)16(2)25(15)12-18-4-5-21-22(11-18)29-14-28-21/h4-5,10-11H,6-9,12-14H2,1-3H3