3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Formula: C29H38N8O4 MolecularWeight: 562.66322

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2COC3=CC=CC=C3O2)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)CC(=O)NCC2COC3=CC=CC=C3O2)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C29H38N8O4/c1-4-9-31-29(39)35-12-13-37(26-15-23(20(2)3)33-28(34-26)36-11-10-30-19-36)21(17-35)14-27(38)32-16-22-18-40-24-7-5-6-8-25(24)41-22/h5-8,10-11,15,19-22H,4,9,12-14,16-18H2,1-3H3,(H,31,39)(H,32,38)