N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(oxolan-3-ylcarbonyl)piperazin-2-yl]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-(oxolan-3-ylcarbonyl)piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(tetrahydrofuran-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[oxo(3-oxolanyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(oxolane-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(tetrahydrofuran-3-carbonyl)piperazin-2-yl]-N-homopiperonyl-acetamide Formula: C27H30ClN7O5 MolecularWeight: 568.024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C(=O)N2CCN(C(C2)CC(=O)NCCC3=CC4=C(C=C3)OCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1COCC1C(=O)N2CCN(C(C2)CC(=O)NCCC3=CC4=C(C=C3)OCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C27H30ClN7O5/c28-23-13-24(32-27(31-23)34-7-6-29-16-34)35-9-8-33(26(37)19-4-10-38-15-19)14-20(35)12-25(36)30-5-3-18-1-2-21-22(11-18)40-17-39-21/h1-2,6-7,11,13,16,19-20H,3-5,8-10,12,14-15,17H2,(H,30,36)