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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(furan-2-ylcarbonyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(furan-2-carbonyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-furanyl(oxo)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(furan-2-carbonyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-(2-furoyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C26H25N7O5 MolecularWeight: 515.5206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=CO2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=CO2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C26H25N7O5/c34-24(29-14-18-3-4-20-22(12-18)38-17-37-20)13-19-15-31(25(35)21-2-1-11-36-21)9-10-33(19)23-5-6-28-26(30-23)32-8-7-27-16-32/h1-8,11-12,16,19H,9-10,13-15,17H2,(H,29,34)