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

Systemtic Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide Openeye Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide CAS Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-N1-propylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide Traditional Name: N'-homopiperonyl-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1,2-dicarboxamide Formula: C25H30N8O4 MolecularWeight: 506.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C25H30N8O4/c1-2-6-28-25(35)33-11-10-31(22-13-23(30-15-29-22)32-9-8-26-16-32)14-19(33)24(34)27-7-5-18-3-4-20-21(12-18)37-17-36-20/h3-4,8-9,12-13,15-16,19H,2,5-7,10-11,14,17H2,1H3,(H,27,34)(H,28,35)