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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]-N-piperonyl-acetamide Formula: C23H26N6O3 MolecularWeight: 434.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N6O3/c30-22(26-14-17-5-6-19-20(12-17)32-16-31-19)13-18-4-2-1-3-10-29(18)21-7-8-25-23(27-21)28-11-9-24-15-28/h5-9,11-12,15,18H,1-4,10,13-14,16H2,(H,26,30)