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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-piperonylpiperazino)ethanone Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H29N3O3/c1-4-25-16(2)11-19(17(25)3)20(26)14-24-9-7-23(8-10-24)13-18-5-6-21-22(12-18)28-15-27-21/h5-6,11-12H,4,7-10,13-15H2,1-3H3