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

Systemtic Name: N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide Openeye Name: N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide CAS Name: N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]piperazine-1,2-dicarboxamide IUPAC Name: 1-N-cyclohexyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Traditional Name: N-cyclohexyl-N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide Formula: C29H36N8O4 MolecularWeight: 560.64734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)NC6CCCCC6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)NC6CCCCC6

InChI

InChI=1S/C29H36N8O4/c1-20-15-26(34-28(32-20)36-10-9-30-19-36)35-11-12-37(29(39)33-22-5-3-2-4-6-22)23(18-35)27(38)31-17-21-7-8-24-25(16-21)41-14-13-40-24/h7-10,15-16,19,22-23H,2-6,11-14,17-18H2,1H3,(H,31,38)(H,33,39)