N3-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-piperazine-1,3-dicarboxamide

Systemtic Name: N3-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-piperazine-1,3-dicarboxamide Openeye Name: N3-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-piperazine-1,3-dicarboxamide CAS Name: N3-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N1-propylpiperazine-1,3-dicarboxamide IUPAC Name: 3-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,3-dicarboxamide Traditional Name: N'-homopiperonyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1,3-dicarboxamide Formula: C25H30N8O4 MolecularWeight: 506.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

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