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

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N1-propyl-piperazine-1,2-dicarboxamide CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N1-propylpiperazine-1,2-dicarboxamide IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-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'-piperonyl-N-propyl-piperazine-1,2-dicarboxamide Formula: C24H27ClN8O4 MolecularWeight: 526.97538

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C24H27ClN8O4/c1-2-5-27-24(35)33-9-8-31(21-11-20(25)29-23(30-21)32-7-6-26-14-32)13-17(33)22(34)28-12-16-3-4-18-19(10-16)37-15-36-18/h3-4,6-7,10-11,14,17H,2,5,8-9,12-13,15H2,1H3,(H,27,35)(H,28,34)