N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,2-dicarboxamide Openeye Name: N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,2-dicarboxamide CAS Name: N2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N1-(4-methoxyphenyl)piperazine-1,2-dicarboxamide IUPAC Name: 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-(4-methoxyphenyl)piperazine-1,2-dicarboxamide Traditional Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1,2-dicarboxamide Formula: C29H30N8O5 MolecularWeight: 570.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C29H30N8O5/c1-40-22-5-3-21(4-6-22)33-29(39)37-13-12-35(26-8-9-31-28(34-26)36-11-10-30-19-36)18-23(37)27(38)32-17-20-2-7-24-25(16-20)42-15-14-41-24/h2-11,16,19,23H,12-15,17-18H2,1H3,(H,32,38)(H,33,39)