N1-cyclohexyl-N2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-yl-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-propan-2-yl-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-isopropyl-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-propan-2-yl-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-propan-2-ylpyrimidin-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-isopropyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide Formula: C31H40N8O4 MolecularWeight: 588.7005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4COC5=CC=CC=C5O4)C(=O)NC6CCCCC6

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4COC5=CC=CC=C5O4)C(=O)NC6CCCCC6

InChI

InChI=1S/C31H40N8O4/c1-21(2)24-16-28(36-30(35-24)38-13-12-32-20-38)37-14-15-39(31(41)34-22-8-4-3-5-9-22)25(18-37)29(40)33-17-23-19-42-26-10-6-7-11-27(26)43-23/h6-7,10-13,16,20-23,25H,3-5,8-9,14-15,17-19H2,1-2H3,(H,33,40)(H,34,41)