3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole Openeye Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methyl]isoxazole CAS Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methyl]isoxazole IUPAC Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole Traditional Name: 3-[[3-(4-piperonylpiperazino)piperidino]methyl]isoxazole Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NOC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)CC2=NOC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H28N4O3/c1-2-19(15-24(6-1)14-18-5-11-28-22-18)25-9-7-23(8-10-25)13-17-3-4-20-21(12-17)27-16-26-20/h3-5,11-12,19H,1-2,6-10,13-16H2