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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[4-acetyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C23H25N7O4 MolecularWeight: 463.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O4/c1-16(31)28-8-9-30(21-4-5-25-23(27-21)29-7-6-24-14-29)18(13-28)11-22(32)26-12-17-2-3-19-20(10-17)34-15-33-19/h2-7,10,14,18H,8-9,11-13,15H2,1H3,(H,26,32)