2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[ethyl(piperonyl)amino]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H26N4O3/c1-2-23(14-17-6-7-18-19(13-17)28-16-27-18)15-21(26)25-11-9-24(10-12-25)20-5-3-4-8-22-20/h3-8,13H,2,9-12,14-16H2,1H3