methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-oxomethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylic acid methyl ester Formula: C24H27N7O5 MolecularWeight: 493.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C24H27N7O5/c1-34-24(33)31-11-10-29(21-5-7-27-23(28-21)30-9-8-25-16-30)15-18(31)22(32)26-6-4-17-2-3-19-20(14-17)36-13-12-35-19/h2-3,5,7-9,14,16,18H,4,6,10-13,15H2,1H3,(H,26,32)