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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(phenylcarbonyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-benzoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-benzoyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-benzoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-benzoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C28H27N7O4 MolecularWeight: 525.55848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C28H27N7O4/c36-26(31-16-20-6-7-23-24(14-20)39-19-38-23)15-22-17-33(27(37)21-4-2-1-3-5-21)12-13-35(22)25-8-9-30-28(32-25)34-11-10-29-18-34/h1-11,14,18,22H,12-13,15-17,19H2,(H,31,36)