3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C32H36N8O5 MolecularWeight: 612.67884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCCO5)C(=O)NC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCCC4=CC5=C(C=C4)OCCO5)C(=O)NC6=CC=C(C=C6)OC

InChI

InChI=1S/C32H36N8O5/c1-22-17-29(37-31(35-22)39-12-11-33-21-39)40-14-13-38(32(42)36-24-4-6-26(43-2)7-5-24)20-25(40)19-30(41)34-10-9-23-3-8-27-28(18-23)45-16-15-44-27/h3-8,11-12,17-18,21,25H,9-10,13-16,19-20H2,1-2H3,(H,34,41)(H,36,42)