3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide CAS Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propylpiperazine-1-carboxamide Traditional Name: 3-[2-(homopiperonylamino)-2-keto-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-piperazine-1-carboxamide Formula: C26H32N8O4 MolecularWeight: 520.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

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