phenyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: phenyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: phenyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-oxomethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylic acid phenyl ester Formula: C29H29N7O5 MolecularWeight: 555.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4COC5=CC=CC=C5O4)C(=O)OC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4COC5=CC=CC=C5O4)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C29H29N7O5/c37-27(31-12-10-22-19-39-24-8-4-5-9-25(24)40-22)23-18-34(26-11-13-32-28(33-26)35-15-14-30-20-35)16-17-36(23)29(38)41-21-6-2-1-3-7-21/h1-9,11,13-15,20,22-23H,10,12,16-19H2,(H,31,37)