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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-piperonylpiperazino)ethanone Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H31N3O3/c1-4-7-26-17(2)12-20(18(26)3)21(27)15-25-10-8-24(9-11-25)14-19-5-6-22-23(13-19)29-16-28-22/h5-6,12-13H,4,7-11,14-16H2,1-3H3