N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-methyl-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C22H25N7O3/c1-27-8-9-29(20-4-5-24-22(26-20)28-7-6-23-14-28)17(13-27)11-21(30)25-12-16-2-3-18-19(10-16)32-15-31-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,25,30)