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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetamide Formula: C23H26N6O3 MolecularWeight: 434.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C23H26N6O3/c30-22(25-8-6-17-4-5-19-20(13-17)32-16-31-19)14-18-3-1-2-11-29(18)21-7-9-26-23(27-21)28-12-10-24-15-28/h4-5,7,9-10,12-13,15,18H,1-3,6,8,11,14,16H2,(H,25,30)