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

Systemtic Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide Openeye Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide CAS Name: N2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N1-propylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N'-homopiperonyl-N-propyl-piperazine-1,2-dicarboxamide Formula: C25H29ClN8O4 MolecularWeight: 541.00196

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H29ClN8O4/c1-2-6-29-25(36)34-11-10-32(22-13-21(26)30-24(31-22)33-9-8-27-15-33)14-18(34)23(35)28-7-5-17-3-4-19-20(12-17)38-16-37-19/h3-4,8-9,12-13,15,18H,2,5-7,10-11,14,16H2,1H3,(H,28,35)(H,29,36)