N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-3-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-3-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-3-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-3-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-3-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-3-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide Formula: C29H36N8O4 MolecularWeight: 560.64734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4COC5=CC=CC=C5O4)C(=O)NC6CCCCC6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4COC5=CC=CC=C5O4)C(=O)NC6CCCCC6

InChI

InChI=1S/C29H36N8O4/c1-20-15-26(34-28(32-20)36-12-11-30-19-36)35-13-14-37(29(39)33-21-7-3-2-4-8-21)23(17-35)27(38)31-16-22-18-40-24-9-5-6-10-25(24)41-22/h5-6,9-12,15,19,21-23H,2-4,7-8,13-14,16-18H2,1H3,(H,31,38)(H,33,39)