N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[oxo(2-oxolanyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(oxolane-2-carbonyl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-N-piperonyl-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide Formula: C25H27N7O5 MolecularWeight: 505.52578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C25H27N7O5/c33-23(28-13-17-3-4-19-21(12-17)37-16-36-19)18-14-30(9-10-32(18)24(34)20-2-1-11-35-20)22-5-6-27-25(29-22)31-8-7-26-15-31/h3-8,12,15,18,20H,1-2,9-11,13-14,16H2,(H,28,33)