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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

COC(=O)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

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