3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-1-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-1-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]-1-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]propan-1-one CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-1-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-1-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-piperonylpiperidino)-1-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazino]propan-1-one Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=NC4=NSN=C4C=C3)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CN(C1)CCC(=O)N2CCN(CC2)C3=NC4=NSN=C4C=C3)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H30N6O3S/c32-24(31-12-10-30(11-13-31)23-6-4-20-25(26-23)28-35-27-20)7-9-29-8-1-2-19(16-29)14-18-3-5-21-22(15-18)34-17-33-21/h3-6,15,19H,1-2,7-14,16-17H2