(phenylmethyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(piperonylcarbamoyl)piperazine-1-carboxylic acid benzyl ester Formula: C28H26ClN7O5 MolecularWeight: 576.00294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C28H26ClN7O5/c29-24-13-25(33-27(32-24)35-9-8-30-17-35)34-10-11-36(28(38)39-16-19-4-2-1-3-5-19)21(15-34)26(37)31-14-20-6-7-22-23(12-20)41-18-40-22/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,31,37)