N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-(1-imidazolyl)-4-pyrimidinyl]-4-(3-methyl-1-oxobutyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(3-methylbutanoyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(6-imidazol-1-ylpyrimidin-4-yl)-4-isovaleryl-piperazin-2-yl]-N-piperonyl-acetamide Formula: C26H31N7O4 MolecularWeight: 505.56884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N7O4/c1-18(2)9-26(35)31-7-8-33(24-12-23(29-15-30-24)32-6-5-27-16-32)20(14-31)11-25(34)28-13-19-3-4-21-22(10-19)37-17-36-21/h3-6,10,12,15-16,18,20H,7-9,11,13-14,17H2,1-2H3,(H,28,34)