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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(2-phenylmethoxyethanoyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-benzyloxyacetyl)-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-oxo-2-phenylmethoxyethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(2-phenylmethoxyacetyl)piperazin-2-yl]acetamide Traditional Name: 2-[4-(2-benzoxyacetyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C30H31N7O5 MolecularWeight: 569.61104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)COCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1CN(C(CN1C(=O)COCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C30H31N7O5/c38-28(33-16-23-6-7-25-26(14-23)42-21-41-25)15-24-17-35(29(39)19-40-18-22-4-2-1-3-5-22)12-13-37(24)27-8-9-32-30(34-27)36-11-10-31-20-36/h1-11,14,20,24H,12-13,15-19,21H2,(H,33,38)