N1-cyclohexyl-N2-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide

Systemtic Name: N1-cyclohexyl-N2-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide Openeye Name: N1-cyclohexyl-N2-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide CAS Name: N1-cyclohexyl-N2-[(4-ethoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]piperazine-1,2-dicarboxamide IUPAC Name: 1-N-cyclohexyl-2-N-[(4-ethoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Traditional Name: N-cyclohexyl-N'-(4-ethoxybenzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide Formula: C29H38N8O3 MolecularWeight: 546.66382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)NC3CCCCC3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)NC3CCCCC3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C29H38N8O3/c1-3-40-24-11-9-22(10-12-24)18-31-27(38)25-19-35(15-16-37(25)29(39)33-23-7-5-4-6-8-23)26-17-21(2)32-28(34-26)36-14-13-30-20-36/h9-14,17,20,23,25H,3-8,15-16,18-19H2,1-2H3,(H,31,38)(H,33,39)