4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-N-cyclohexyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide Formula: C28H33ClN8O4 MolecularWeight: 581.06582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C28H33ClN8O4/c29-24-15-25(34-27(33-24)36-9-8-30-18-36)35-10-11-37(28(39)32-20-4-2-1-3-5-20)21(17-35)26(38)31-16-19-6-7-22-23(14-19)41-13-12-40-22/h6-9,14-15,18,20-21H,1-5,10-13,16-17H2,(H,31,38)(H,32,39)