N2-[2-(1,3-benzodioxol-5-yl)ethyl]-N1-cyclohexyl-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-N1-cyclohexyl-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Openeye Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-N1-cyclohexyl-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide CAS Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-N1-cyclohexyl-4-[6-(1-imidazolyl)-4-pyrimidinyl]piperazine-1,2-dicarboxamide IUPAC Name: 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-N-cyclohexyl-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Traditional Name: N-cyclohexyl-N'-homopiperonyl-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Formula: C28H34N8O4 MolecularWeight: 546.62076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCCC3=CC4=C(C=C3)OCO4)C5=NC=NC(=C5)N6C=CN=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCCC3=CC4=C(C=C3)OCO4)C5=NC=NC(=C5)N6C=CN=C6

InChI

InChI=1S/C28H34N8O4/c37-27(30-9-8-20-6-7-23-24(14-20)40-19-39-23)22-16-34(25-15-26(32-17-31-25)35-11-10-29-18-35)12-13-36(22)28(38)33-21-4-2-1-3-5-21/h6-7,10-11,14-15,17-18,21-22H,1-5,8-9,12-13,16,19H2,(H,30,37)(H,33,38)