3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-3-[2-keto-2-(piperonylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C32H36N8O5 MolecularWeight: 612.67884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)OC

InChI

InChI=1S/C32H36N8O5/c1-21(2)26-16-29(37-31(36-26)39-11-10-33-19-39)40-13-12-38(32(42)35-23-5-7-25(43-3)8-6-23)18-24(40)15-30(41)34-17-22-4-9-27-28(14-22)45-20-44-27/h4-11,14,16,19,21,24H,12-13,15,17-18,20H2,1-3H3,(H,34,41)(H,35,42)