1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanone Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-1-(4-piperonylpiperazino)ethanone Formula: C26H31N7O3 MolecularWeight: 489.56944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1CCN(C(C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C26H31N7O3/c34-25(31-13-11-30(12-14-31)17-20-4-5-22-23(15-20)36-19-35-22)16-21-3-1-2-9-33(21)24-6-7-28-26(29-24)32-10-8-27-18-32/h4-8,10,15,18,21H,1-3,9,11-14,16-17,19H2