phenyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: phenyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate Openeye Name: phenyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)piperazine-1-carboxylic acid phenyl 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)OCCO5)C(=O)OC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OC6=CC=CC=C6

InChI

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