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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyethanoyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-(1-oxo-2-phenoxyethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)piperazin-2-yl]acetamide Traditional Name: 2-[4-(6-imidazol-1-ylpyrimidin-4-yl)-1-(2-phenoxyacetyl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C29H29N7O5 MolecularWeight: 555.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC=NC(=C2)N3C=CN=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)COC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC=NC(=C2)N3C=CN=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)COC6=CC=CC=C6

InChI

InChI=1S/C29H29N7O5/c37-28(31-15-21-6-7-24-25(12-21)41-20-40-24)13-22-16-34(26-14-27(33-18-32-26)35-9-8-30-19-35)10-11-36(22)29(38)17-39-23-4-2-1-3-5-23/h1-9,12,14,18-19,22H,10-11,13,15-17,20H2,(H,31,37)