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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(oxolan-3-ylcarbonyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(tetrahydrofuran-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-[oxo(3-oxolanyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(oxolane-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(tetrahydrofuran-3-carbonyl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C26H29N7O5 MolecularWeight: 519.55236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C(=O)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1COCC1C(=O)N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C26H29N7O5/c34-24(29-13-18-1-2-21-22(11-18)38-17-37-21)12-20-14-31(25(35)19-4-10-36-15-19)8-9-33(20)23-3-5-28-26(30-23)32-7-6-27-16-32/h1-3,5-7,11,16,19-20H,4,8-10,12-15,17H2,(H,29,34)