(4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: (4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-2-(piperonylcarbamoyl)piperazine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C28H27N7O6 MolecularWeight: 557.55728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C28H27N7O6/c1-38-20-3-5-21(6-4-20)41-28(37)35-13-12-33(25-8-9-30-27(32-25)34-11-10-29-17-34)16-22(35)26(36)31-15-19-2-7-23-24(14-19)40-18-39-23/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,31,36)