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

Systemtic Name: (phenylmethyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H27N7O5 MolecularWeight: 541.55788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C28H27N7O5/c36-26(31-15-21-6-7-23-24(14-21)40-19-39-23)22-16-33(25-8-9-30-27(32-25)34-11-10-29-18-34)12-13-35(22)28(37)38-17-20-4-2-1-3-5-20/h1-11,14,18,22H,12-13,15-17,19H2,(H,31,36)