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

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Formula: C26H32N8O4 MolecularWeight: 520.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N8O4/c1-2-6-29-26(36)32-10-11-34(23-5-7-28-25(31-23)33-9-8-27-18-33)20(17-32)15-24(35)30-16-19-3-4-21-22(14-19)38-13-12-37-21/h3-5,7-9,14,18,20H,2,6,10-13,15-17H2,1H3,(H,29,36)(H,30,35)