N3-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-N1-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-N1-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,3-dicarboxamide Openeye Name: N3-[1-(3-chloro-4-methoxy-phenyl)ethyl]-N1-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,3-dicarboxamide CAS Name: N3-[1-(3-chloro-4-methoxyphenyl)ethyl]-N1-cyclohexyl-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]piperazine-1,3-dicarboxamide IUPAC Name: 3-N-[1-(3-chloro-4-methoxyphenyl)ethyl]-1-N-cyclohexyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1,3-dicarboxamide Traditional Name: N'-[1-(3-chloro-4-methoxy-phenyl)ethyl]-N-cyclohexyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,3-dicarboxamide Formula: C29H37ClN8O3 MolecularWeight: 581.10888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NC(C)C4=CC(=C(C=C4)OC)Cl)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NC(C)C4=CC(=C(C=C4)OC)Cl)C(=O)NC5CCCCC5

InChI

InChI=1S/C29H37ClN8O3/c1-19-15-26(35-28(32-19)37-12-11-31-18-37)38-14-13-36(29(40)34-22-7-5-4-6-8-22)17-24(38)27(39)33-20(2)21-9-10-25(41-3)23(30)16-21/h9-12,15-16,18,20,22,24H,4-8,13-14,17H2,1-3H3,(H,33,39)(H,34,40)