3-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-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-ylpyrimidin-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-ylpyrimidin-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)-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-ylpyrimidin-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-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C31H34N8O5 MolecularWeight: 598.65226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(C(C2)CC(=O)NCCC3=CC4=C(C=C3)OCCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C(C2)CC(=O)NCCC3=CC4=C(C=C3)OCCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C31H34N8O5/c1-42-25-5-3-23(4-6-25)35-31(41)37-14-15-39(28-9-11-34-30(36-28)38-13-12-32-21-38)24(20-37)19-29(40)33-10-8-22-2-7-26-27(18-22)44-17-16-43-26/h2-7,9,11-13,18,21,24H,8,10,14-17,19-20H2,1H3,(H,33,40)(H,35,41)