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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-ethanimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-ethanimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-(1-iminoethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-ethanimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-acetimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C23H26N8O3 MolecularWeight: 462.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(=N)N1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C23H26N8O3/c1-16(24)29-8-9-31(21-4-5-26-23(28-21)30-7-6-25-14-30)18(13-29)11-22(32)27-12-17-2-3-19-20(10-17)34-15-33-19/h2-7,10,14,18,24H,8-9,11-13,15H2,1H3,(H,27,32)