N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)-methyl-amino]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)-methyl-amino]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)-methyl-amino]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[2-(1-imidazolyl)-4-pyrimidinyl]-methylamino]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)-methylamino]acetamide Traditional Name: N-homopiperonyl-2-[(2-imidazol-1-ylpyrimidin-4-yl)-methyl-amino]acetamide Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCC1=CC2=C(C=C1)OCO2)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CN(CC(=O)NCCC1=CC2=C(C=C1)OCO2)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C19H20N6O3/c1-24(17-5-7-22-19(23-17)25-9-8-20-12-25)11-18(26)21-6-4-14-2-3-15-16(10-14)28-13-27-15/h2-3,5,7-10,12H,4,6,11,13H2,1H3,(H,21,26)